data_[V2Cl2F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cl  3.1600  1.0000  0.7800
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9260]
_cell_length_b [8.1161]
_cell_length_c [6.2373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [VClF3]
_chemical_formula_sum '[V2 Cl2 F6]'
_cell_volume [198.6805]
_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  2  0.2490  0.2500  0.7289  1
  Cl  Cl1  2  0.2360  0.2500  0.3796  1
  F  F2  4  0.2523  0.0496  0.8351  1
  F  F3  2  0.2506  0.7500  0.2531  1
]