# generated using pymatgen
data_LiBi(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93578576
_cell_length_b   5.93578576
_cell_length_c   5.93578594
_cell_angle_alpha   48.52777048
_cell_angle_beta   48.52777048
_cell_angle_gamma   48.52777872
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi(BO3)2
_chemical_formula_sum   'Li1 Bi1 B2 O6'
_cell_volume   107.69292840
_cell_formula_units_Z   1
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  0.50000000  0.50000000  1
  Bi  Bi1  1  0.00000000  0.00000000  0.00000000  1
  B  B2  1  0.25453200  0.25453200  0.25453200  1
  B  B3  1  0.74546800  0.74546800  0.74546800  1
  O  O4  1  0.74605800  0.03129100  0.46387900  1
  O  O5  1  0.96870900  0.53612100  0.25394200  1
  O  O6  1  0.53612100  0.25394200  0.96870900  1
  O  O7  1  0.46387900  0.74605800  0.03129100  1
  O  O8  1  0.03129100  0.46387900  0.74605800  1
  O  O9  1  0.25394200  0.96870900  0.53612100  1
