# generated using pymatgen
data_LiBeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.40346800
_cell_length_b   4.99733800
_cell_length_c   6.07422689
_cell_angle_alpha   114.29003812
_cell_angle_beta   106.26954392
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeB
_chemical_formula_sum   'Li4 Be4 B4'
_cell_volume   89.60795293
_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  0.34682900  0.24866700  0.69365800  1
  Li  Li1  1  0.65317100  0.55501000  0.30634200  1
  Li  Li2  1  0.50000000  0.14575100  0.00000000  1
  Li  Li3  1  0.00000000  0.90120100  0.00000000  1
  Be  Be4  1  0.17663000  0.30995900  0.35326000  1
  Be  Be5  1  0.82337000  0.95669900  0.64674000  1
  Be  Be6  1  0.17329400  0.83736000  0.34658800  1
  Be  Be7  1  0.82670600  0.49077200  0.65341200  1
  B  B8  1  0.66604200  0.04386200  0.33208500  1
  B  B9  1  0.33395800  0.71177800  0.66791500  1
  B  B10  1  0.50000000  0.66203800  0.00000000  1
  B  B11  1  0.00000000  0.44581300  0.00000000  1
