data_[Li4Cu4Br16]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.4201]
_cell_length_b [13.4214]
_cell_length_c [8.0532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1582]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiCuBr4]
_chemical_formula_sum '[Li4 Cu4 Br16]'
_cell_volume [719.8661]
_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  4  0.0000  0.3177  0.7500  1.0
  Cu  Cu1  4  0.0000  0.1841  0.2500  1.0
  Br  Br2  8  0.2166  0.3083  0.2268  1.0
  Br  Br3  8  0.2251  0.9393  0.7447  1.0
]