data_[Sb4Pb2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2888]
_cell_length_b [10.1630]
_cell_length_c [7.9704]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.8051]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sb2PbBr8]
_chemical_formula_sum '[Sb4 Pb2 Br16]'
_cell_volume [1006.2480]
_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
[
  Sb  Sb0  4  0.1474  0.0000  0.6129  1.0
  Pb  Pb1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0871  0.1985  0.7864  1.0
  Br  Br3  4  0.1581  0.5000  0.1827  1.0
  Br  Br4  4  0.2144  0.0000  0.3102  1.0
]