data_[Sb2P2O4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  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 [5.8160]
_cell_length_b [7.6294]
_cell_length_c [7.6562]
_cell_angle_alpha [87.4867]
_cell_angle_beta [75.4727]
_cell_angle_gamma [82.7062]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SbP(OF3)2]
_chemical_formula_sum '[Sb2 P2 O4 F12]'
_cell_volume [326.1771]
_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
[
  Sb  Sb0  2  0.4157  0.7721  0.2451  1.0
  P  P1  2  0.2337  0.1915  0.1666  1.0
  O  O2  2  0.2143  0.9950  0.1790  1.0
  O  O3  2  0.4415  0.2569  0.0282  1.0
  F  F4  2  0.0046  0.7178  0.8637  1.0
  F  F5  2  0.1706  0.6466  0.2102  1.0
  F  F6  2  0.2422  0.2620  0.3497  1.0
  F  F7  2  0.2661  0.8156  0.4917  1.0
  F  F8  2  0.3425  0.0799  0.7574  1.0
  F  F9  2  0.3904  0.4355  0.7123  1.0
]