data_[Ga2Bi2Pb2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Bi  2.0200  1.6000  1.0350
  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 [6.7201]
_cell_length_b [6.9064]
_cell_length_c [8.0232]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1585]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [GaBiPbS4]
_chemical_formula_sum '[Ga2 Bi2 Pb2 S8]'
_cell_volume [355.7981]
_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
[
  Ga  Ga0  2  0.2363  0.7500  0.3071  1
  Bi  Bi1  2  0.2351  0.2500  0.5515  1
  Pb  Pb2  2  0.2374  0.2500  0.0670  1
  S  S3  4  0.0101  0.0048  0.2562  1
  S  S4  2  0.4499  0.7500  0.5903  1
  S  S5  2  0.4544  0.7500  0.1392  1
]