data_[V1Cu1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0967]
_cell_length_b [5.2062]
_cell_length_c [5.4392]
_cell_angle_alpha [116.9225]
_cell_angle_beta [90.1284]
_cell_angle_gamma [119.0047]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [VCuF6]
_chemical_formula_sum '[V1 Cu1 F6]'
_cell_volume [107.8968]
_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
  Cu  Cu1  1  0.5000  0.0000  0.5000  1.0
  F  F2  2  0.1104  0.8774  0.2352  1.0
  F  F3  2  0.2347  0.8806  0.7671  1.0
  F  F4  2  0.3452  0.4402  0.2245  1.0
]