data_[Pb2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9211]
_cell_length_b [4.0409]
_cell_length_c [9.9129]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PbS3]
_chemical_formula_sum '[Pb2 S6]'
_cell_volume [236.8511]
_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
[
  Pb  Pb0  2  0.2463  0.7500  0.3900  1.0
  S  S1  2  0.2584  0.2500  0.5734  1.0
  S  S2  2  0.3243  0.2500  0.0784  1.0
  S  S3  2  0.3572  0.7500  0.8884  1.0
]