data_[Li2I4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.3138]
_cell_length_b [7.5135]
_cell_length_c [8.4351]
_cell_angle_alpha [108.3135]
_cell_angle_beta [102.0306]
_cell_angle_gamma [91.5052]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [LiI2Br]
_chemical_formula_sum '[Li2 I4 Br2]'
_cell_volume [311.1655]
_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
[
  Li  Li0  2  0.2972  0.0453  0.6388  1.0
  I  I1  2  0.1652  0.4428  0.7494  1.0
  I  I2  2  0.4973  0.2652  0.2433  1.0
  Br  Br3  2  0.1835  0.9285  0.3080  1.0
]