data_[Cu6P2F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [7.6020]
_cell_length_b [7.6020]
_cell_length_c [7.6020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Cu3PF12]
_chemical_formula_sum '[Cu6 P2 F24]'
_cell_volume [439.3238]
_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
[
  Cu  Cu0  6  0.0000  0.0000  0.5000  1.0
  P  P1  2  0.0000  0.0000  0.0000  1.0
  F  F2  12  0.0000  0.0000  0.2136  1.0
  F  F3  12  0.0000  0.2500  0.5000  1.0
]