data_[K4Co4Cu4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8295]
_cell_length_b [11.9599]
_cell_length_c [8.9407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCoCuBr5]
_chemical_formula_sum '[K4 Co4 Cu4 Br20]'
_cell_volume [1007.7821]
_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  4  0.0000  0.3601  0.2500  1.0
  Co  Co1  4  0.0000  0.2946  0.7500  1.0
  Cu  Cu2  4  0.0000  0.0000  0.0000  1.0
  Br  Br3  8  0.1248  0.1790  0.6169  1.0
  Br  Br4  8  0.1576  0.4078  0.9382  1.0
  Br  Br5  4  0.0000  0.0792  0.2500  1.0
]