data_[Cu8Te4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [11.9006]
_cell_length_b [8.7423]
_cell_length_c [5.3938]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4645]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2TeF6]
_chemical_formula_sum '[Cu8 Te4 F24]'
_cell_volume [525.7465]
_cell_formula_units_Z [4]
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  8  0.2252  0.4883  0.2653  1
  Te  Te1  4  0.0000  0.2032  0.2500  1
  F  F2  8  0.0765  0.3788  0.1176  1
  F  F3  8  0.1220  0.0781  0.0744  1
  F  F4  8  0.1363  0.2567  0.5866  1
]