# generated using pymatgen
data_LiBeB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28147413
_cell_length_b   3.28147413
_cell_length_c   12.40853000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000269
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBeB
_chemical_formula_sum   'Li4 Be4 B4'
_cell_volume   115.71480436
_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  0.00000000  0.00000000  0.42960900  1.0
  Li  Li1  1  0.33333400  0.66666700  0.09226800  1.0
  Li  Li2  1  0.33333400  0.66666700  0.29110900  1.0
  Li  Li3  1  0.66666600  0.33333300  0.75396200  1.0
  Be  Be4  1  0.66666600  0.33333300  0.56166200  1.0
  Be  Be5  1  0.33333400  0.66666700  0.89233400  1.0
  Be  Be6  1  0.66666600  0.33333300  0.93877100  1.0
  Be  Be7  1  0.00000000  0.00000000  0.61113500  1.0
  B  B8  1  0.00000000  0.00000000  0.20753300  1.0
  B  B9  1  0.33333400  0.66666700  0.57808500  1.0
  B  B10  1  0.66666600  0.33333300  0.20678200  1.0
  B  B11  1  0.00000000  0.00000000  0.90625300  1.0