data_[K2Rb2Cu2Br8]
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 [P2_1/m]
_cell_length_a [7.6720]
_cell_length_b [6.8027]
_cell_length_c [9.7218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KRbCuBr4]
_chemical_formula_sum '[K2 Rb2 Cu2 Br8]'
_cell_volume [482.8642]
_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  2  0.2450  0.7500  0.5560  1.0
  Rb  Rb1  2  0.2907  0.7500  0.0739  1.0
  Cu  Cu2  2  0.2167  0.2500  0.3051  1.0
  Br  Br3  4  0.0050  0.0108  0.7538  1.0
  Br  Br4  2  0.3841  0.2500  0.5601  1.0
  Br  Br5  2  0.4058  0.2500  0.1429  1.0
]