data_[Os2Br6Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [18.3721]
_cell_length_b [11.1408]
_cell_length_c [11.4131]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Os(BrCl)3]
_chemical_formula_sum '[Os2 Br6 Cl6]'
_cell_volume [2336.0253]
_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
[
  Os  Os0  2  0.5000  0.0000  0.8518  1
  Br  Br1  4  0.4082  0.5467  0.4877  1
  Br  Br2  2  0.5000  0.0000  0.2545  1
  Cl  Cl3  4  0.4715  0.1581  0.7469  1
  Cl  Cl4  2  0.5000  0.0000  0.4472  1
]