data_[Li8Zn8Br24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1906]
_cell_length_b [12.2398]
_cell_length_c [6.9172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiZnBr3]
_chemical_formula_sum '[Li8 Zn8 Br24]'
_cell_volume [1087.6699]
_cell_formula_units_Z [8]
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  0.1085  0.7500  1.0
  Li  Li1  4  0.0000  0.2505  0.2500  1.0
  Zn  Zn2  8  0.1970  0.4103  0.7921  1.0
  Br  Br3  8  0.1134  0.0860  0.1271  1.0
  Br  Br4  8  0.1221  0.2502  0.6120  1.0
  Br  Br5  8  0.1331  0.4218  0.1034  1.0
]