data_[V4O3F9]
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 [5.2778]
_cell_length_b [5.4286]
_cell_length_c [7.6188]
_cell_angle_alpha [91.2745]
_cell_angle_beta [90.2735]
_cell_angle_gamma [90.7428]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [V4(OF3)3]
_chemical_formula_sum '[V4 O3 F9]'
_cell_volume [218.2136]
_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  0.0276  0.0248  0.9963  1.0
  V  V1  1  0.5193  0.5115  0.4975  1.0
  V  V2  1  0.5240  0.5270  0.0031  1.0
  V  V3  1  0.9963  0.9944  0.4993  1.0
  O  O4  1  0.2592  0.2341  0.9735  1.0
  O  O5  1  0.7326  0.7597  0.0254  1.0
  O  O6  1  0.7683  0.7058  0.4731  1.0
  F  F7  1  0.0836  0.9770  0.2493  1.0
  F  F8  1  0.2173  0.2943  0.5280  1.0
  F  F9  1  0.2277  0.7281  0.9444  1.0
  F  F10  1  0.2824  0.7828  0.5550  1.0
  F  F11  1  0.4085  0.5197  0.2492  1.0
  F  F12  1  0.5781  0.4606  0.7506  1.0
  F  F13  1  0.7052  0.2055  0.4470  1.0
  F  F14  1  0.7588  0.2593  0.0576  1.0
  F  F15  1  0.9110  0.0152  0.7505  1.0
]