# generated using pymatgen
data_NdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59887432
_cell_length_b   5.59887432
_cell_length_c   5.59887432
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdS2
_chemical_formula_sum   'Nd2 S4'
_cell_volume   124.10439424
_cell_formula_units_Z   2
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  0.50000000  0.50000000  0.50000000  1.0
  Nd  Nd1  1  0.75000000  0.75000000  0.75000000  1.0
  S  S2  1  0.12500000  0.12500000  0.12500000  1.0
  S  S3  1  0.62500000  0.12500000  0.12500000  1.0
  S  S4  1  0.12500000  0.62500000  0.12500000  1.0
  S  S5  1  0.12500000  0.12500000  0.62500000  1.0