# generated using pymatgen
data_LiB3O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25846800
_cell_length_b   7.42427600
_cell_length_c   8.51853600
_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   332.56635237
_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  0.01379000  0.43107200  0.58050000  1
  Li  Li1  1  0.51379000  0.56892800  0.41950000  1
  Li  Li2  1  0.01379000  0.06892800  0.08050000  1
  Li  Li3  1  0.51379000  0.93107200  0.91950000  1
  B  B4  1  0.64245100  0.16421700  0.49106800  1
  B  B5  1  0.14245100  0.83578300  0.50893200  1
  B  B6  1  0.64245100  0.33578300  0.99106800  1
  B  B7  1  0.14245100  0.66421700  0.00893200  1
  B  B8  1  0.44977300  0.94097900  0.30756000  1
  B  B9  1  0.94977300  0.05902100  0.69244000  1
  B  B10  1  0.44977300  0.55902100  0.80756000  1
  B  B11  1  0.94977300  0.44097900  0.19244000  1
  B  B12  1  0.26883000  0.24698500  0.34084800  1
  B  B13  1  0.76883000  0.75301500  0.65915200  1
  B  B14  1  0.26883000  0.25301500  0.84084800  1
  B  B15  1  0.76883000  0.74698500  0.15915200  1
  O  O16  1  0.64608200  0.00289100  0.41695700  1
  O  O17  1  0.14608200  0.99710900  0.58304300  1
  O  O18  1  0.64608200  0.49710900  0.91695700  1
  O  O19  1  0.14608200  0.50289100  0.08304300  1
  O  O20  1  0.80109000  0.20610600  0.61413000  1
  O  O21  1  0.30109000  0.79389400  0.38587000  1
  O  O22  1  0.80109000  0.29389400  0.11413000  1
  O  O23  1  0.30109000  0.70610600  0.88587000  1
  O  O24  1  0.46842900  0.29732700  0.44153300  1
  O  O25  1  0.96842900  0.70267300  0.55846700  1
  O  O26  1  0.46842900  0.20267300  0.94153300  1
  O  O27  1  0.96842900  0.79732700  0.05846700  1
  O  O28  1  0.27098400  0.08814300  0.25979500  1
  O  O29  1  0.77098400  0.91185700  0.74020500  1
  O  O30  1  0.27098400  0.41185700  0.75979500  1
  O  O31  1  0.77098400  0.58814300  0.24020500  1
  O  O32  1  0.07557200  0.37163800  0.33491200  1
  O  O33  1  0.57557200  0.62836200  0.66508800  1
  O  O34  1  0.07557200  0.12836200  0.83491200  1
  O  O35  1  0.57557200  0.87163800  0.16508800  1