data_[P2Os2O4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Os  2.2000  1.3000  0.6730
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.1024]
_cell_length_b [6.6954]
_cell_length_c [6.9233]
_cell_angle_alpha [87.5225]
_cell_angle_beta [84.0954]
_cell_angle_gamma [78.8943]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [POs(OF3)2]
_chemical_formula_sum '[P2 Os2 O4 F12]'
_cell_volume [230.7883]
_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
[
  P  P0  2  0.2166  0.1759  0.2090  1
  Os  Os1  2  0.4092  0.2520  0.7588  1
  O  O2  2  0.1966  0.1699  0.9938  1
  O  O3  2  0.4556  0.0434  0.2927  1
  F  F4  2  0.0417  0.8817  0.6961  1
  F  F5  2  0.1154  0.2498  0.6146  1
  F  F6  2  0.2169  0.3929  0.2672  1
  F  F7  2  0.2783  0.5248  0.8223  1
  F  F8  2  0.2994  0.7598  0.0896  1
  F  F9  2  0.3862  0.6798  0.4643  1
]