data_[K2Cu4Br2]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.0430]
_cell_length_b [5.0514]
_cell_length_c [7.9597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1751]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KCu2Br]
_chemical_formula_sum '[K2 Cu4 Br2]'
_cell_volume [192.6504]
_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  0.3110  0.0000  0.4879  1
  Cu  Cu1  2  0.0159  0.5000  0.9193  1
  Cu  Cu2  2  0.4824  0.5000  0.8499  1
  Br  Br3  2  0.1907  0.5000  0.2430  1
]