data_[H2Os2I2Cl12]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.2609]
_cell_length_b [11.7186]
_cell_length_c [7.8681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2163]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [HOsICl6]
_chemical_formula_sum '[H2 Os2 I2 Cl12]'
_cell_volume [576.3665]
_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
[
  H  H0  2  0.0000  0.3162  0.0000  1.0
  Os  Os1  2  0.0000  0.8137  0.0000  1.0
  I  I2  2  0.0000  0.9509  0.5000  1.0
  Cl  Cl3  4  0.1112  0.6809  0.8119  1.0
  Cl  Cl4  4  0.1186  0.9627  0.8234  1.0
  Cl  Cl5  4  0.1583  0.3161  0.8523  1.0
]