#include "spglib.h"
#include <stdio.h>
#include <stdlib.h>
#include <math.h>

static void test_layer_spg_get_dataset(void);
static void show_layer_spg_dataset(double lattice[3][3],
                                   const double origin_shift[3],
                                   double position[][3],
                                   const int num_atom,
                                   const int types[],
                                   const int aperiodic_axis,
                                   const double symprec);

int main(void)
{
  test_layer_spg_get_dataset();
  return 0;
}

static void test_layer_spg_get_dataset(void)
{
  double symprec;
    double origin_shift[3] = { 0.0, 0.0, 0.0};
    int num_atom = 6;

    //double lattice[3][3] = { { 3.6298283346442517, 4.414688373086613e-05, 4.931753153254027e-16 }, { 2.0578765260243217e-05, 6.3189524931635095, 3.0514353036695804e-21 }, { 0.0, 0.0, 16.2670050174248 } };
    double lattice[3][3] = { { 3.6298283346442517, 2.0578765260243217e-05, 0.0 }, { 4.414688373086613e-05, 6.3189524931635095, 0.0 }, { 4.931753153254027e-16, 3.0514353036695804e-21, 16.2670050174248 } };
     int types[] = { 49, 49, 16, 16, 16, 16 };

    double position[][3] = {
{ 0.5000000000011727, 1.9659104439318793e-12, 0.499999999990874 },
{ 3.918861871595479e-13, 0.5000000000025439, 0.499999999990813 },
{ 0.49999671789715555, 0.3331107557679678, 0.4034517768684944 },
{ 0.9999871413290102, 0.16687354536345317, 0.5966360513378329 },
{ 0.5000032821094088, 0.6668892442284696, 0.5965482231161988 },
{ 1.2858669915597997e-05, 0.8331264546340158, 0.4033639486465312 }
 };

    show_layer_spg_dataset(lattice, origin_shift, position, num_atom, types, 2, 0.1);
}

static void show_layer_spg_dataset(double lattice[3][3],
                                   const double origin_shift[3],
                                   double position[][3],
                                   const int num_atom,
                                   const int types[],
                                   const int aperiodic_axis,
                                   const double symprec)
{
  SpglibDataset *dataset;
  char ptsymbol[6];
  int pt_trans_mat[3][3];

  int i, j, size;
  const char *wl = "abcdefghijklmnopqrstuvwxyz";

  for ( i = 0; i < num_atom; i++ ) {
    for ( j = 0; j < 3; j++ ) {
      position[i][j] += origin_shift[j];
    }
  }

  dataset = spg_get_layer_dataset(lattice,
                                  position,
                                  types,
                                  num_atom,
                                  aperiodic_axis,
                                  symprec);

  printf("International: %s (%d)\n", dataset->international_symbol, dataset->spacegroup_number );
  printf("Hall symbol:   %s\n", dataset->hall_symbol );
  spg_get_pointgroup(ptsymbol,
                     pt_trans_mat,
                     dataset->rotations,
                     dataset->n_operations);
  printf("Point group:   %s\n", ptsymbol);
  printf("Transformation matrix:\n");
  for ( i = 0; i < 3; i++ ) {
    printf("%f %f %f\n",
           dataset->transformation_matrix[i][0],
           dataset->transformation_matrix[i][1],
           dataset->transformation_matrix[i][2]);
  }
  printf("Wyckoff letters:\n");
  for ( i = 0; i < dataset->n_atoms; i++ ) {
    printf("%c ", wl[dataset->wyckoffs[i]]);
  }
  printf("\n");
  printf("Equivalent atoms:\n");
  for (i = 0; i < dataset->n_atoms; i++) {
    printf("%d ", dataset->equivalent_atoms[i]);
  }
  printf("\n");

  for (i = 0; i < dataset->n_operations; i++) {
    printf("--- %d ---\n", i + 1);
    for (j = 0; j < 3; j++) {
      printf("%2d %2d %2d\n",
             dataset->rotations[i][j][0],
             dataset->rotations[i][j][1],
             dataset->rotations[i][j][2]);
    }
    printf("%f %f %f\n",
           dataset->translations[i][0],
           dataset->translations[i][1],
           dataset->translations[i][2]);
  }

  spg_free_dataset(dataset);

}

hall_symbol.c:    int periodic_axes[2] = {0, 1};
site_symmetry.c:    int periodic_axes[2] = {0, 1};
site_symmetry.c:    int periodic_axes[2] = {0, 1};
site_symmetry.c:    int periodic_axis[2] = {0, 1};