# generated using pymatgen
data_Nd2SeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.22909833
_cell_length_b   7.22909866
_cell_length_c   7.22909849
_cell_angle_alpha   33.27035175
_cell_angle_beta   33.27034540
_cell_angle_gamma   33.27035612
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2SeS
_chemical_formula_sum   'Nd2 Se1 S1'
_cell_volume   101.22490215
_cell_formula_units_Z   1
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  0.24189605  0.24189605  0.24189605  1.0
  Nd  Nd1  1  0.75810395  0.75810395  0.75810395  1.0
  Se  Se2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.50000000  0.50000000  0.50000000  1.0