data_[K12Cu4O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.6692]
_cell_length_b [5.7625]
_cell_length_c [8.1067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K3CuO2]
_chemical_formula_sum '[K12 Cu4 O8]'
_cell_volume [553.8354]
_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
[
  K  K0  8  0.2131  0.0182  0.3637  1.0
  K  K1  4  0.0000  0.4979  0.7500  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.1112  0.2167  0.5648  1.0
]