data_[In3Br1Cl2]
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 [Pm]
_cell_length_a [4.7702]
_cell_length_b [4.4936]
_cell_length_c [21.5389]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [In3BrCl2]
_chemical_formula_sum '[In3 Br1 Cl2]'
_cell_volume [461.6915]
_cell_formula_units_Z [1]
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  1  0.0070  0.5000  0.3489  1
  In  In1  1  0.0343  0.5000  0.6525  1
  In  In2  1  0.5092  0.0000  0.4995  1
  Br  Br3  1  0.0202  0.5000  0.5028  1
  Cl  Cl4  1  0.4057  0.0000  0.3533  1
  Cl  Cl5  1  0.4393  0.0000  0.6430  1
]