data_[K3Ta3Cu6F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [4.9978]
_cell_length_b [4.9978]
_cell_length_c [25.8917]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KTaCu2F8]
_chemical_formula_sum '[K3 Ta3 Cu6 F24]'
_cell_volume [560.0838]
_cell_formula_units_Z [3]
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
[
  K  K0  3  0.0000  0.0000  0.0000  1
  Ta  Ta1  3  0.0000  0.0000  0.5000  1
  Cu  Cu2  6  0.0000  0.0000  0.2719  1
  F  F3  18  0.0124  0.3866  0.1196  1
  F  F4  6  0.0000  0.0000  0.3433  1
]