# generated using pymatgen
data_LiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13986892
_cell_length_b   4.13986892
_cell_length_c   6.69329149
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99993411
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBr
_chemical_formula_sum   'Li2 Br2'
_cell_volume   99.34450241
_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  1  0.00000000  -0.00000000  0.37687524  1
  Li  Li1  1  0.33333200  0.66666500  0.87687524  1
  Br  Br2  1  -0.00000000  0.00000000  0.99812276  1
  Br  Br3  1  0.33333200  0.66666500  0.49812276  1
