data_[V3F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [6.8072]
_cell_length_b [6.8072]
_cell_length_c [17.4055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [V3F8]
_chemical_formula_sum '[V3 F8]'
_cell_volume [698.4877]
_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  2  0.3333  0.6667  0.4971  1
  V  V1  1  0.0000  0.0000  0.5302  1
  F  F2  6  0.0981  0.3754  0.5315  1
  F  F3  2  0.3333  0.6667  0.3933  1
]