# generated using pymatgen
data_YbNdS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57131683
_cell_length_b   6.57131683
_cell_length_c   9.49537834
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.75260437
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YbNdS3
_chemical_formula_sum   'Yb2 Nd2 S6'
_cell_volume   230.75227080
_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
  Yb  Yb0  1  0.00000000  0.00000000  0.50000000  1.0
  Yb  Yb1  1  0.00000000  0.00000000  0.00000000  1.0
  Nd  Nd2  1  0.74684296  0.25315704  0.25000000  1.0
  Nd  Nd3  1  0.25315704  0.74684296  0.75000000  1.0
  S  S4  1  0.64181557  0.35818443  0.56301605  1.0
  S  S5  1  0.64181557  0.35818443  0.93698395  1.0
  S  S6  1  0.35818443  0.64181557  0.06301605  1.0
  S  S7  1  0.35818443  0.64181557  0.43698395  1.0
  S  S8  1  0.08634158  0.91365842  0.25000000  1.0
  S  S9  1  0.91365842  0.08634158  0.75000000  1.0