data_[Os1Cl1F8]
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 [P1]
_cell_length_a [5.6520]
_cell_length_b [5.6774]
_cell_length_c [6.1549]
_cell_angle_alpha [91.6144]
_cell_angle_beta [90.7797]
_cell_angle_gamma [93.3542]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [OsClF8]
_chemical_formula_sum '[Os1 Cl1 F8]'
_cell_volume [197.0623]
_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  0.5004  0.4989  0.5042  1.0
  Cl  Cl1  1  0.0001  0.0003  0.0643  1.0
  F  F2  1  0.2493  0.1838  0.0202  1.0
  F  F3  1  0.2918  0.2298  0.4937  1.0
  F  F4  1  0.3151  0.6291  0.7211  1.0
  F  F5  1  0.3203  0.6408  0.2911  1.0
  F  F6  1  0.6799  0.3545  0.7151  1.0
  F  F7  1  0.6849  0.3733  0.2837  1.0
  F  F8  1  0.7089  0.7676  0.5111  1.0
  F  F9  1  0.7486  0.8188  0.0072  1.0
]