data_[V4P4O16F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  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 [C2/c]
_cell_length_a [7.2697]
_cell_length_b [7.3396]
_cell_length_c [7.2617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.5995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [VPO4F]
_chemical_formula_sum '[V4 P4 O16 F4]'
_cell_volume [343.3669]
_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
[
  V  V0  4  0.2500  0.2500  0.5000  1.0
  P  P1  4  0.0000  0.3823  0.7500  1.0
  O  O2  8  0.1032  0.2528  0.6546  1.0
  O  O3  8  0.1700  0.4959  0.9229  1.0
  F  F4  4  0.0000  0.1683  0.2500  1.0
]