data_[K3Co9Cu12F36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Co  1.8800  1.3500  0.7683
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [11.2727]
_cell_length_b [11.2727]
_cell_length_c [7.9227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KCo3Cu4F12]
_chemical_formula_sum '[K3 Co9 Cu12 F36]'
_cell_volume [871.8842]
_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
  Co  Co1  9  0.0000  0.5844  0.0000  1
  Cu  Cu2  9  0.0000  0.3782  0.5000  1
  Cu  Cu3  3  0.0000  0.0000  0.5000  1
  F  F4  18  0.0662  0.2148  0.2066  1
  F  F5  9  0.0000  0.5876  0.5000  1
  F  F6  9  0.0000  0.8268  0.5000  1
]