# generated using pymatgen
data_Li3BO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12437898
_cell_length_b   3.22482194
_cell_length_c   8.24692384
_cell_angle_alpha   79.13891543
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3BO3
_chemical_formula_sum   'Li12 B4 O12'
_cell_volume   238.31477365
_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  0.76802767  0.48975311  0.98338514  1
  Li  Li1  1  0.26802767  0.51024689  0.51661486  1
  Li  Li2  1  0.23197233  0.51024689  0.01661486  1
  Li  Li3  1  0.73197233  0.48975311  0.48338514  1
  Li  Li4  1  0.52374709  0.27713257  0.88887253  1
  Li  Li5  1  0.02374709  0.72286743  0.61112747  1
  Li  Li6  1  0.47625291  0.72286743  0.11112747  1
  Li  Li7  1  0.97625291  0.27713257  0.38887253  1
  Li  Li8  1  0.57171739  0.90721483  0.63294919  1
  Li  Li9  1  0.07171739  0.09278517  0.86705081  1
  Li  Li10  1  0.42828261  0.09278517  0.36705081  1
  Li  Li11  1  0.92828261  0.90721483  0.13294919  1
  B  B12  1  0.81367292  0.19679621  0.74609364  1
  B  B13  1  0.31367292  0.80320379  0.75390636  1
  B  B14  1  0.18632708  0.80320379  0.25390636  1
  B  B15  1  0.68632708  0.19679621  0.24609364  1
  O  O16  1  0.86216918  0.02501444  0.90229786  1
  O  O17  1  0.36216918  0.97498556  0.59770214  1
  O  O18  1  0.13783082  0.97498556  0.09770214  1
  O  O19  1  0.63783082  0.02501444  0.40229786  1
  O  O20  1  0.90682260  0.22618937  0.61182515  1
  O  O21  1  0.40682260  0.77381063  0.88817485  1
  O  O22  1  0.09317740  0.77381063  0.38817485  1
  O  O23  1  0.59317740  0.22618937  0.11182515  1
  O  O24  1  0.67311214  0.36488859  0.72150288  1
  O  O25  1  0.17311214  0.63511141  0.77849712  1
  O  O26  1  0.32688786  0.63511141  0.27849712  1
  O  O27  1  0.82688786  0.36488859  0.22150288  1
