# generated using pymatgen
data_LiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.07966900
_cell_length_b   5.71539700
_cell_length_c   6.15039500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB
_chemical_formula_sum   'Li4 B4'
_cell_volume   108.25636803
_cell_formula_units_Z   4
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  0.25000000  0.24221300  0.25665100  1
  Li  Li1  1  0.75000000  0.75778700  0.74334900  1
  Li  Li2  1  0.75000000  0.74221300  0.24334900  1
  Li  Li3  1  0.25000000  0.25778700  0.75665100  1
  B  B4  1  0.25000000  0.52691400  0.49929500  1
  B  B5  1  0.75000000  0.47308600  0.50070500  1
  B  B6  1  0.75000000  0.02691400  0.00070500  1
  B  B7  1  0.25000000  0.97308600  0.99929500  1
