# generated using pymatgen
data_LiBi(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98673800
_cell_length_b   4.62087800
_cell_length_c   9.08124517
_cell_angle_alpha   62.20671449
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBi(BO3)2
_chemical_formula_sum   'Li2 Bi2 B4 O12'
_cell_volume   222.24120361
_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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.00000000  0.50000000  0.00000000  1
  Bi  Bi2  1  0.50000000  0.00000000  0.00000000  1
  Bi  Bi3  1  0.00000000  0.00000000  0.50000000  1
  B  B4  1  0.13888800  0.73566700  0.25958800  1
  B  B5  1  0.63888800  0.26433300  0.24041200  1
  B  B6  1  0.36111200  0.73566700  0.75958800  1
  B  B7  1  0.86111200  0.26433300  0.74041200  1
  O  O8  1  0.44589000  0.01111100  0.76256500  1
  O  O9  1  0.18786300  0.75753300  0.10471400  1
  O  O10  1  0.18368000  0.45380000  0.40612300  1
  O  O11  1  0.68368000  0.54620000  0.09387700  1
  O  O12  1  0.68786300  0.24246700  0.39528600  1
  O  O13  1  0.94589000  0.98888900  0.73743500  1
  O  O14  1  0.05411000  0.01111100  0.26256500  1
  O  O15  1  0.31213700  0.75753300  0.60471400  1
  O  O16  1  0.31632000  0.45380000  0.90612300  1
  O  O17  1  0.81632000  0.54620000  0.59387700  1
  O  O18  1  0.81213700  0.24246700  0.89528600  1
  O  O19  1  0.55411000  0.98888900  0.23743500  1
