data_[Os2Cl2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.8214]
_cell_length_b [5.8643]
_cell_length_c [10.2425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3669]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [OsClF8]
_chemical_formula_sum '[Os2 Cl2 F16]'
_cell_volume [321.2477]
_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  0.3782  0.2500  1.0
  Cl  Cl1  2  0.5000  0.1046  0.2500  1.0
  F  F2  4  0.1106  0.1490  0.4137  1.0
  F  F3  4  0.1126  0.3923  0.9131  1.0
  F  F4  4  0.3272  0.3787  0.3017  1.0
  F  F5  4  0.3684  0.0829  0.7898  1.0
]