data_[V1Fe1P2O8F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  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 [5.0744]
_cell_length_b [5.2372]
_cell_length_c [7.3710]
_cell_angle_alpha [70.0142]
_cell_angle_beta [70.6954]
_cell_angle_gamma [89.2296]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VFeP2(O4F)2]
_chemical_formula_sum '[V1 Fe1 P2 O8 F2]'
_cell_volume [172.6428]
_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
[
  V  V0  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  1  0.5000  0.5000  0.5000  1.0
  P  P2  2  0.3736  0.1208  0.2536  1.0
  O  O3  2  0.1515  0.1537  0.1438  1.0
  O  O4  2  0.3203  0.8367  0.4176  1.0
  O  O5  2  0.3295  0.8492  0.9178  1.0
  O  O6  2  0.3607  0.3559  0.3307  1.0
  F  F7  2  0.1463  0.3155  0.7587  1.0
]