data_[Os1Cl3F3]
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 [Pm]
_cell_length_a [4.0472]
_cell_length_b [18.1082]
_cell_length_c [7.7558]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6788]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Os(ClF)3]
_chemical_formula_sum '[Os1 Cl3 F3]'
_cell_volume [558.5620]
_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  0.2822  0.5000  0.6249  1
  Cl  Cl1  2  0.1975  0.4142  0.4162  1
  Cl  Cl2  1  0.8089  0.5000  0.1439  1
  F  F3  2  0.3497  0.4280  0.8077  1
  F  F4  1  0.7900  0.5000  0.6469  1
]