# generated using pymatgen
data_LiCuBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19075400
_cell_length_b   5.20814918
_cell_length_c   5.56080936
_cell_angle_alpha   91.04565576
_cell_angle_beta   114.55988957
_cell_angle_gamma   119.28661869
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuBO3
_chemical_formula_sum   'Li2 Cu2 B2 O6'
_cell_volume   114.50831011
_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  0.44973800  0.38483800  0.69231900  1
  Li  Li1  1  0.55026200  0.61516200  0.30768100  1
  Cu  Cu2  1  0.16361800  0.77351700  0.74821800  1
  Cu  Cu3  1  0.83638200  0.22648300  0.25178200  1
  B  B4  1  0.81738500  0.07979200  0.74704600  1
  B  B5  1  0.18261500  0.92020800  0.25295400  1
  O  O6  1  0.02348100  0.30573300  0.66366600  1
  O  O7  1  0.63916100  0.14367600  0.84515100  1
  O  O8  1  0.76534200  0.79478800  0.71553100  1
  O  O9  1  0.23465800  0.20521200  0.28446900  1
  O  O10  1  0.36083900  0.85632400  0.15484900  1
  O  O11  1  0.97651900  0.69426700  0.33633400  1
