# generated using pymatgen
data_LiBO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17704677
_cell_length_b   4.17704696
_cell_length_c   4.40117732
_cell_angle_alpha   118.32924053
_cell_angle_beta   118.32924549
_cell_angle_gamma   89.99999363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiBO2
_chemical_formula_sum   'Li2 B2 O4'
_cell_volume   56.93012138
_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  0.00000000  1
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1
  B  B2  1  -0.00000000  -0.00000000  0.00000000  1
  B  B3  1  0.25000000  0.75000000  0.50000000  1
  O  O4  1  0.96559220  0.87500000  0.25000000  1
  O  O5  1  0.62500000  0.03440780  0.75000000  1
  O  O6  1  0.12500000  0.71559220  0.75000000  1
  O  O7  1  0.28440780  0.37500000  0.25000000  1
