data_[In4Sn4Br8Cl4]
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
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4cm]
_cell_length_a [8.1127]
_cell_length_b [8.1127]
_cell_length_c [11.3082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [108]
_chemical_formula_structural [InSnBr2Cl]
_chemical_formula_sum '[In4 Sn4 Br8 Cl4]'
_cell_volume [744.2494]
_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
[
  In  In0  4  0.0000  0.5000  0.2252  1
  Sn  Sn1  4  0.0000  0.0000  0.0097  1
  Br  Br2  8  0.1767  0.3233  0.5119  1
  Cl  Cl3  4  0.0000  0.0000  0.2411  1
]