data_[K2Rb4Cu4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5108]
_cell_length_b [7.5756]
_cell_length_c [9.1154]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KRb2(CuBr3)2]
_chemical_formula_sum '[K2 Rb4 Cu4 Br12]'
_cell_volume [838.7095]
_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
[
  Rb  Rb0  4  0.2052  0.5000  0.1935  1.0
  K  K1  2  0.0000  0.5000  0.5000  1.0
  Cu  Cu2  4  0.0427  0.0000  0.2433  1.0
  Br  Br3  8  0.0707  0.2509  0.8262  1.0
  Br  Br4  4  0.2330  0.0000  0.3867  1.0
]