# generated using pymatgen
data_LiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48080169
_cell_length_b   4.48080169
_cell_length_c   4.48080169
_cell_angle_alpha   139.80533590
_cell_angle_beta   101.58603882
_cell_angle_gamma   92.02322733
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB
_chemical_formula_sum   'Li2 B2'
_cell_volume   54.28535415
_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  0.50000000  0.00000000  0.50000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  B  B2  1  0.97290300  0.75000000  0.22290300  1
  B  B3  1  0.02709700  0.25000000  0.77709700  1
