data_[B2Pb4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  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 [6.4224]
_cell_length_b [6.4188]
_cell_length_c [8.1119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4210]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [B(PbS2)2]
_chemical_formula_sum '[B2 Pb4 S8]'
_cell_volume [313.3933]
_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
[
  B  B0  2  0.2878  0.7500  0.2154  1
  Pb  Pb1  2  0.2266  0.2500  0.4159  1
  Pb  Pb2  2  0.2640  0.2500  0.9502  1
  S  S3  4  0.4852  0.5138  0.2680  1
  S  S4  2  0.0989  0.7500  0.3545  1
  S  S5  2  0.1284  0.7500  0.9634  1
]