# generated using pymatgen
data_NdCrS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.78190129
_cell_length_b   7.81500959
_cell_length_c   13.05412393
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdCrS3
_chemical_formula_sum   'Nd4 Cr4 S12'
_cell_volume   385.82239799
_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  0.25000000  0.58873207  0.32778084  1.0
  Nd  Nd1  1  0.75000000  0.41126793  0.67221916  1.0
  Nd  Nd2  1  0.25000000  0.08873207  0.17221916  1.0
  Nd  Nd3  1  0.75000000  0.91126793  0.82778084  1.0
  Cr  Cr4  1  0.25000000  0.83853107  0.55169962  1.0
  Cr  Cr5  1  0.75000000  0.16146893  0.44830038  1.0
  Cr  Cr6  1  0.25000000  0.33853107  0.94830038  1.0
  Cr  Cr7  1  0.75000000  0.66146893  0.05169962  1.0
  S  S8  1  0.25000000  0.98808952  0.39316844  1.0
  S  S9  1  0.75000000  0.01191048  0.60683156  1.0
  S  S10  1  0.25000000  0.48808952  0.10683156  1.0
  S  S11  1  0.75000000  0.51191048  0.89316844  1.0
  S  S12  1  0.25000000  0.83947619  0.99349809  1.0
  S  S13  1  0.75000000  0.16052381  0.00650191  1.0
  S  S14  1  0.25000000  0.33947619  0.50650191  1.0
  S  S15  1  0.75000000  0.66052381  0.49349809  1.0
  S  S16  1  0.75000000  0.80602873  0.21223807  1.0
  S  S17  1  0.25000000  0.19397127  0.78776193  1.0
  S  S18  1  0.75000000  0.30602873  0.28776193  1.0
  S  S19  1  0.25000000  0.69397127  0.71223807  1.0