data_[B2Sb2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  B  2.0400  0.8500  0.4100
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [6.1797]
_cell_length_b [6.2659]
_cell_length_c [9.5721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [BSbPbS4]
_chemical_formula_sum '[B2 Sb2 Pb2 S8]'
_cell_volume [352.5251]
_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  0.1694  0.2500  0.1989  1.0
  Sb  Sb1  2  0.3099  0.7500  0.1655  1.0
  Pb  Pb2  2  0.2708  0.6984  0.5619  1.0
  S  S3  2  0.0217  0.0055  0.2151  1.0
  S  S4  2  0.0240  0.4953  0.2183  1.0
  S  S5  2  0.4056  0.2568  0.5850  1.0
  S  S6  2  0.4340  0.2519  0.1561  1.0
]