data_[Ba2Li2Cu2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [6.2191]
_cell_length_b [9.4290]
_cell_length_c [8.2852]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.1287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaLiCuBr4]
_chemical_formula_sum '[Ba2 Li2 Cu2 Br8]'
_cell_volume [475.0051]
_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
[
  Ba  Ba0  2  0.1283  0.7500  0.1036  1.0
  Li  Li1  2  0.2851  0.7500  0.6866  1.0
  Cu  Cu2  2  0.2382  0.2500  0.2985  1.0
  Br  Br3  4  0.0301  0.5510  0.7564  1.0
  Br  Br4  2  0.4155  0.2500  0.0442  1.0
  Br  Br5  2  0.4767  0.7500  0.4550  1.0
]