# generated using pymatgen
data_LiB3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21748754
_cell_length_b   7.32144299
_cell_length_c   8.34253838
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiB3O5
_chemical_formula_sum   'Li4 B12 O20'
_cell_volume   318.68110832
_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  0.01379548  0.43172519  0.41957120  1
  Li  Li1  1  0.51379548  0.56827481  0.58042880  1
  Li  Li2  1  0.01379548  0.06827481  0.91957120  1
  Li  Li3  1  0.51379548  0.93172519  0.08042880  1
  B  B4  1  0.64526630  0.16558579  0.50924097  1
  B  B5  1  0.14526630  0.83441421  0.49075903  1
  B  B6  1  0.64526630  0.33441421  0.00924097  1
  B  B7  1  0.14526630  0.66558579  0.99075903  1
  B  B8  1  0.44869011  0.94115477  0.69548903  1
  B  B9  1  0.94869011  0.05884523  0.30451097  1
  B  B10  1  0.44869011  0.55884523  0.19548903  1
  B  B11  1  0.94869011  0.44115477  0.80451097  1
  B  B12  1  0.26744710  0.24835290  0.65735698  1
  B  B13  1  0.76744710  0.75164710  0.34264302  1
  B  B14  1  0.26744710  0.25164710  0.15735698  1
  B  B15  1  0.76744710  0.74835290  0.84264302  1
  O  O16  1  0.64791193  0.00270659  0.58474945  1
  O  O17  1  0.14791193  0.99729341  0.41525055  1
  O  O18  1  0.64791193  0.49729341  0.08474945  1
  O  O19  1  0.14791193  0.50270659  0.91525055  1
  O  O20  1  0.80231191  0.20759831  0.38366565  1
  O  O21  1  0.30231191  0.79240169  0.61633435  1
  O  O22  1  0.80231191  0.29240169  0.88366565  1
  O  O23  1  0.30231191  0.70759831  0.11633435  1
  O  O24  1  0.47138459  0.29949557  0.55928709  1
  O  O25  1  0.97138459  0.70050443  0.44071291  1
  O  O26  1  0.47138459  0.20050443  0.05928709  1
  O  O27  1  0.97138459  0.79949557  0.94071291  1
  O  O28  1  0.26861929  0.08957775  0.74136912  1
  O  O29  1  0.76861929  0.91042225  0.25863088  1
  O  O30  1  0.26861929  0.41042225  0.24136912  1
  O  O31  1  0.76861929  0.58957775  0.75863088  1
  O  O32  1  0.07157328  0.37227868  0.65902951  1
  O  O33  1  0.57157328  0.62772132  0.34097049  1
  O  O34  1  0.07157328  0.12772132  0.15902951  1
  O  O35  1  0.57157328  0.87227868  0.84097049  1
