data_[Sb4O4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sb  2.0500  1.4500  0.8300
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [9.3118]
_cell_length_b [9.3118]
_cell_length_c [3.7758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [113]
_chemical_formula_structural [SbOF3]
_chemical_formula_sum '[Sb4 O4 F12]'
_cell_volume [327.3998]
_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
[
  Sb  Sb0  4  0.1301  0.3699  0.2425  1.0
  O  O1  4  0.1108  0.3892  0.7425  1.0
  F  F2  8  0.1069  0.1690  0.2439  1.0
  F  F3  4  0.0936  0.5936  0.2424  1.0
]