# generated using pymatgen
data_LiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00969883
_cell_length_b   4.00970882
_cell_length_c   3.09538022
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99527813
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB
_chemical_formula_sum   'Li2 B2'
_cell_volume   43.10125210
_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  0.33333436  0.66667237  0.25000000  1.0
  Li  Li1  1  0.66666564  0.33332763  0.75000000  1.0
  B  B2  1  0.99999519  0.00001213  0.25000000  1.0
  B  B3  1  0.00000481  0.99998787  0.75000000  1.0