data_NdCrSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.14
_cell_length_b   3.97
_cell_length_c   13.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCrSe3
_chemical_formula_sum   'Nd4 Cr4 Se12'
_cell_volume   443.69
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nd  Nd0  1  0.86  0.99  0.21  1.0
  Nd  Nd1  1  0.36  0.98  0.35  1.0
  Nd  Nd2  1  0.79  0.99  0.38  1.0
  Nd  Nd3  1  0.28  0.98  0.52  1.0
  Cr  Cr4  1  0.31  0.98  0.57  1.0
  Cr  Cr5  1  0.83  0.99  0.16  1.0
  Cr  Cr6  1  0.38  0.98  0.03  1.0
  Cr  Cr7  1  0.76  0.99  0.7  1.0
  Se  Se8  1  0.03  0.99  0.36  1.0
  Se  Se9  1  0.8  0.99  0.81  1.0
  Se  Se10  1  0.11  0.98  0.37  1.0
  Se  Se11  1  0.87  0.99  0.05  1.0
  Se  Se12  1  0.35  0.98  0.92  1.0
  Se  Se13  1  0.53  0.98  0.78  1.0
  Se  Se14  1  0.54  0.99  0.91  1.0
  Se  Se15  1  0.6  0.98  0.82  1.0
  Se  Se16  1  0.61  0.99  0.95  1.0
  Se  Se17  1  0.27  0.98  0.68  1.0
  Se  Se18  1  0.96  0.99  0.23  1.0
  Se  Se19  1  0.18  0.98  0.5  1.0

data_NdCrSe3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.97
_cell_length_b   8.14
_cell_length_c   13.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NdCrSe3
_chemical_formula_sum   'Nd4 Cr4 Se12'
_cell_volume   443.69
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Nd  Nd0  2  0.01  0.29  0.35  1.0
  Nd  Nd1  2  0.01  0.22  0.52  1.0
  Cr  Cr2  2  0.01  0.19  0.84  1.0
  Cr  Cr3  2  0.01  0.26  0.3  1.0
  Se  Se4  2  0.01  0.23  0.95  1.0
  Se  Se5  2  0.01  0.3  0.19  1.0
  Se  Se6  2  0.01  0.39  0.37  1.0
  Se  Se7  2  0.01  0.46  0.5  1.0
  Se  Se8  2  0.01  0.97  0.05  1.0
  Se  Se9  2  0.01  0.04  0.09  1.0

Nd Nd Nd Nd Cr Cr Cr Cr Se Se Se Se Se Se Se Se Se Se Se Se