data_[V4O6F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2827]
_cell_length_b [5.3033]
_cell_length_c [9.2756]
_cell_angle_alpha [74.3476]
_cell_angle_beta [74.7587]
_cell_angle_gamma [60.9826]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V2(OF)3]
_chemical_formula_sum '[V4 O6 F6]'
_cell_volume [216.1075]
_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
[
  V  V0  1  0.2872  0.2258  0.2272  1.0
  V  V1  1  0.4893  0.4533  0.5017  1.0
  V  V2  1  0.7403  0.7393  0.7367  1.0
  V  V3  1  0.9828  0.9968  0.9901  1.0
  O  O4  1  0.1686  0.0912  0.1298  1.0
  O  O5  1  0.3233  0.4280  0.3790  1.0
  O  O6  1  0.5561  0.1416  0.6279  1.0
  O  O7  1  0.6152  0.1884  0.1249  1.0
  O  O8  1  0.6661  0.5892  0.6267  1.0
  O  O9  1  0.8422  0.9205  0.8752  1.0
  F  F10  1  0.0578  0.6320  0.1423  1.0
  F  F11  1  0.1261  0.7047  0.6163  1.0
  F  F12  1  0.3979  0.7917  0.8951  1.0
  F  F13  1  0.4205  0.8920  0.3764  1.0
  F  F14  1  0.8598  0.3370  0.3832  1.0
  F  F15  1  0.9668  0.3683  0.8674  1.0
]