data_[In4Br4Cl4]
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 [C2/m]
_cell_length_a [14.1248]
_cell_length_b [5.4847]
_cell_length_c [5.6572]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6567]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [InBrCl]
_chemical_formula_sum '[In4 Br4 Cl4]'
_cell_volume [415.2387]
_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  0.1136  0.5000  0.8506  1
  Br  Br1  4  0.1415  0.0000  0.8500  1
  Cl  Cl2  4  0.0882  0.5000  0.3161  1
]