data_[Os4Cl12F4]
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 [7.5096]
_cell_length_b [8.4578]
_cell_length_c [10.7343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.2885]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [OsCl3F]
_chemical_formula_sum '[Os4 Cl12 F4]'
_cell_volume [668.5970]
_cell_formula_units_Z [4]
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  4  0.0911  0.1373  0.1174  1
  Cl  Cl1  4  0.0395  0.1468  0.5973  1
  Cl  Cl2  4  0.1131  0.4026  0.1303  1
  Cl  Cl3  4  0.3732  0.1046  0.0874  1
  F  F4  4  0.1557  0.1358  0.3180  1
]