data_[Cu1F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [2.9864]
_cell_length_b [5.4846]
_cell_length_c [6.4894]
_cell_angle_alpha [112.0233]
_cell_angle_beta [99.6281]
_cell_angle_gamma [91.2886]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CuF6]
_chemical_formula_sum '[Cu1 F6]'
_cell_volume [96.7226]
_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
[
  Cu  Cu0  1  0.0000  0.0000  0.0000  1.0
  F  F1  2  0.0811  0.7367  0.2172  1.0
  F  F2  2  0.2170  0.7373  0.4455  1.0
  F  F3  2  0.4332  0.7970  0.8386  1.0
]