data_[K4Cu8H4Br24]
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
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.0891]
_cell_length_b [13.9877]
_cell_length_c [7.0714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KCu2HBr6]
_chemical_formula_sum '[K4 Cu8 H4 Br24]'
_cell_volume [1234.7416]
_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  0.1582  0.7500  1.0
  Cu  Cu1  8  0.2090  0.4463  0.6713  1.0
  H  H2  4  0.0000  0.3319  0.2500  1.0
  Br  Br3  8  0.0939  0.3187  0.4751  1.0
  Br  Br4  8  0.1000  0.0674  0.2229  1.0
  Br  Br5  8  0.1945  0.4087  0.9865  1.0
]