data_[K8Li4Cu4Br20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1314]
_cell_length_b [19.9421]
_cell_length_c [13.4501]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [K2LiCuBr5]
_chemical_formula_sum '[K8 Li4 Cu4 Br20]'
_cell_volume [1108.1320]
_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  0.1273  0.3215  1
  K  K1  4  0.0000  0.1329  0.6884  1
  Li  Li2  4  0.0000  0.2171  0.0435  1
  Cu  Cu3  4  0.0000  0.4384  0.4293  1
  Br  Br4  4  0.0000  0.0373  0.0188  1
  Br  Br5  4  0.0000  0.2999  0.6631  1
  Br  Br6  4  0.0000  0.3212  0.3848  1
  Br  Br7  4  0.0000  0.3415  0.0042  1
  Br  Br8  4  0.0000  0.4942  0.2704  1
]