data_[In2Pb4Br2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4509]
_cell_length_b [4.1112]
_cell_length_c [10.0295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.5550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InPb2BrCl4]
_chemical_formula_sum '[In2 Pb4 Br2 Cl8]'
_cell_volume [542.8912]
_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  2  0.0000  0.0000  0.0000  1.0
  Pb  Pb1  4  0.1742  0.0000  0.7405  1.0
  Br  Br2  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  4  0.1375  0.5000  0.9361  1.0
  Cl  Cl4  4  0.2155  0.0000  0.3039  1.0
]