data_[In4Sn2Pb2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [P2_1/c]
_cell_length_a [7.6743]
_cell_length_b [8.4091]
_cell_length_c [13.7185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.9030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In2SnPbBr6]
_chemical_formula_sum '[In4 Sn2 Pb2 Br12]'
_cell_volume [734.7963]
_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
[
  In  In0  4  0.2843  0.5835  0.7514  1.0
  Sn  Sn1  2  0.5000  0.0000  0.0000  1.0
  Pb  Pb2  2  0.0000  0.0000  0.5000  1.0
  Br  Br3  4  0.1233  0.5403  0.2528  1.0
  Br  Br4  4  0.2394  0.1857  0.0606  1.0
  Br  Br5  4  0.3874  0.6909  0.0607  1.0
]