data_[Sn2Pb2Br8]
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/m]
_cell_length_a [15.7928]
_cell_length_b [4.4499]
_cell_length_c [7.6868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.8820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SnPbBr4]
_chemical_formula_sum '[Sn2 Pb2 Br8]'
_cell_volume [473.0146]
_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
[
  Sn  Sn0  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  2  0.0000  0.5000  0.5000  1.0
  Br  Br2  4  0.1201  0.5000  0.9574  1.0
  Br  Br3  4  0.1212  0.0000  0.4496  1.0
]