# generated using pymatgen
data_LiBeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70384387
_cell_length_b   2.99866847
_cell_length_c   5.74522609
_cell_angle_alpha   90.00000000
_cell_angle_beta   98.56630942
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeB
_chemical_formula_sum   'Li2 Be2 B2'
_cell_volume   63.09807242
_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  0.22002543  0.25000000  0.33549533  1.0
  Li  Li1  1  0.77997457  0.75000000  0.66450467  1.0
  Be  Be2  1  0.35212102  0.25000000  0.88900660  1.0
  Be  Be3  1  0.64787898  0.75000000  0.11099340  1.0
  B  B4  1  0.88241580  0.25000000  0.97333047  1.0
  B  B5  1  0.11758420  0.75000000  0.02666953  1.0