data_[Sn8Pb4Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  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/c]
_cell_length_a [14.9271]
_cell_length_b [13.5774]
_cell_length_c [7.5486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.8689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sn2PbBr6]
_chemical_formula_sum '[Sn8 Pb4 Br24]'
_cell_volume [1521.8570]
_cell_formula_units_Z [4]
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
[
  Sn  Sn0  8  0.2395  0.4138  0.0236  1.0
  Pb  Pb1  4  0.0000  0.1001  0.2500  1.0
  Br  Br2  8  0.1186  0.0639  0.6015  1.0
  Br  Br3  8  0.1309  0.2451  0.1216  1.0
  Br  Br4  8  0.1379  0.4377  0.6974  1.0
]