# generated using pymatgen
data_Li2IBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33960897
_cell_length_b   4.33960897
_cell_length_c   7.00848433
_cell_angle_alpha   89.98056169
_cell_angle_beta   90.01943831
_cell_angle_gamma   119.99824995
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2IBr
_chemical_formula_sum   'Li2 I1 Br1'
_cell_volume   114.30456098
_cell_formula_units_Z   1
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  1  0.66666500  0.33333500  0.47864621  1
  Li  Li1  1  1.00000151  -0.00000151  0.02431974  1
  I  I2  1  0.00001549  0.99998451  0.62614527  1
  Br  Br3  1  0.66665199  0.33334801  0.12088878  1
