data_[H2Os2Br2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  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 [C2]
_cell_length_a [6.2040]
_cell_length_b [11.6672]
_cell_length_c [7.5626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7642]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HOsBrCl6]
_chemical_formula_sum '[H2 Os2 Br2 Cl12]'
_cell_volume [544.6381]
_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  0.0000  0.1859  0.0000  1.0
  H  H1  2  0.0000  0.6848  0.0000  1.0
  Br  Br2  2  0.0000  0.0488  0.5000  1.0
  Cl  Cl3  4  0.1023  0.3195  0.8063  1.0
  Cl  Cl4  4  0.1149  0.0376  0.8209  1.0
  Cl  Cl5  4  0.1476  0.6849  0.8428  1.0
]