data_[In12Br14Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [12.3939]
_cell_length_b [10.5934]
_cell_length_c [9.6621]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [In6Br7Cl5]
_chemical_formula_sum '[In12 Br14 Cl10]'
_cell_volume [1268.5673]
_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  0.1659  0.0000  0.0002  1
  In  In1  4  0.3263  0.0000  0.5102  1
  In  In2  2  0.0000  0.0000  0.4896  1
  In  In3  2  0.5000  0.0000  0.9952  1
  Br  Br4  8  0.3328  0.1767  0.9940  1
  Br  Br5  4  0.0000  0.1779  0.0056  1
  Br  Br6  2  0.5000  0.0000  0.2694  1
  Cl  Cl7  4  0.1606  0.0000  0.7421  1
  Cl  Cl8  4  0.1691  0.0000  0.2589  1
  Cl  Cl9  2  0.5000  0.0000  0.7354  1
]