data_[K8Ca2Cu6F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.3524]
_cell_length_b [8.3524]
_cell_length_c [8.3524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [K4CaCu3F12]
_chemical_formula_sum '[K8 Ca2 Cu6 F24]'
_cell_volume [582.6904]
_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
[
  K  K0  8  0.2500  0.2500  0.2500  1
  Ca  Ca1  2  0.0000  0.0000  0.0000  1
  Cu  Cu2  6  0.0000  0.0000  0.5000  1
  F  F3  12  0.0000  0.0000  0.2642  1
  F  F4  12  0.0000  0.2500  0.5000  1
]