# generated using pymatgen
data_NdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75335064
_cell_length_b   5.75335064
_cell_length_c   5.66366000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000740
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdS3
_chemical_formula_sum   'Nd2 S6'
_cell_volume   162.35641757
_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  0.66666700  0.33333300  0.25000000  1.0
  Nd  Nd1  1  0.33333300  0.66666700  0.75000000  1.0
  S  S2  1  0.82374300  0.17625700  0.75000000  1.0
  S  S3  1  0.35251400  0.17625700  0.75000000  1.0
  S  S4  1  0.82374300  0.64748600  0.75000000  1.0
  S  S5  1  0.17625700  0.82374300  0.25000000  1.0
  S  S6  1  0.64748600  0.82374300  0.25000000  1.0
  S  S7  1  0.17625700  0.35251400  0.25000000  1.0