data_[K4Cu4Au2Br12]
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
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4417]
_cell_length_b [7.3112]
_cell_length_c [7.1136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.7796]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Cu2AuBr6]
_chemical_formula_sum '[K4 Cu4 Au2 Br12]'
_cell_volume [692.5119]
_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  4  0.2291  0.5000  0.2006  1.0
  Cu  Cu1  4  0.0471  0.0000  0.2028  1.0
  Au  Au2  2  0.0000  0.5000  0.5000  1.0
  Br  Br3  8  0.0581  0.2518  0.7899  1.0
  Br  Br4  4  0.2216  0.0000  0.3038  1.0
]