data_[Os1I1Br1Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  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 [P1]
_cell_length_a [6.8106]
_cell_length_b [7.7552]
_cell_length_c [7.8393]
_cell_angle_alpha [107.9747]
_cell_angle_beta [102.8046]
_cell_angle_gamma [114.2161]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [OsIBrCl6]
_chemical_formula_sum '[Os1 I1 Br1 Cl6]'
_cell_volume [328.9825]
_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
[
  Os  Os0  1  0.1656  0.6672  0.3346  1.0
  I  I1  1  0.9673  0.0090  0.0860  1.0
  Br  Br2  1  0.9750  0.4032  0.6857  1.0
  Cl  Cl3  1  0.0791  0.3612  0.0454  1.0
  Cl  Cl4  1  0.2353  0.9520  0.5896  1.0
  Cl  Cl5  1  0.4105  0.8670  0.2269  1.0
  Cl  Cl6  1  0.4452  0.6314  0.5132  1.0
  Cl  Cl7  1  0.8473  0.6718  0.1266  1.0
  Cl  Cl8  1  0.8744  0.4370  0.3921  1.0
]