data_[I4Br6Cl10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [9.0202]
_cell_length_b [9.0501]
_cell_length_c [11.1550]
_cell_angle_alpha [99.6907]
_cell_angle_beta [93.3635]
_cell_angle_gamma [99.8092]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [I2Br3Cl5]
_chemical_formula_sum '[I4 Br6 Cl10]'
_cell_volume [880.9218]
_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
[
  I  I0  2  0.1123  0.2188  0.1285  1
  I  I1  2  0.1690  0.3028  0.6403  1
  Br  Br2  2  0.0168  0.9605  0.7311  1
  Br  Br3  2  0.1444  0.6729  0.3477  1
  Br  Br4  2  0.4333  0.1853  0.1398  1
  Cl  Cl5  2  0.1089  0.6926  0.9380  1
  Cl  Cl6  2  0.1754  0.4858  0.4916  1
  Cl  Cl7  2  0.3065  0.3741  0.0115  1
  Cl  Cl8  2  0.4312  0.2735  0.6335  1
  Cl  Cl9  2  0.4985  0.9821  0.7539  1
]