data_[Li8Cu4Br4Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.7908]
_cell_length_b [6.8728]
_cell_length_c [6.5048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Li2CuBrCl2]
_chemical_formula_sum '[Li8 Cu4 Br4 Cl8]'
_cell_volume [527.1225]
_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
[
  Li  Li0  8  0.1740  0.3398  0.6758  1
  Cu  Cu1  4  0.0000  0.1823  0.1919  1
  Br  Br2  4  0.0000  0.1610  0.8150  1
  Cl  Cl3  8  0.1666  0.3358  0.3075  1
]