# generated using pymatgen
data_LiCuBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09532963
_cell_length_b   8.09532963
_cell_length_c   3.05027700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuBO3
_chemical_formula_sum   'Li3 Cu3 B3 O9'
_cell_volume   173.11671371
_cell_formula_units_Z   3
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  0.61287800  0.64806600  0.50000000  1
  Li  Li1  1  0.35193400  0.96481200  0.50000000  1
  Li  Li2  1  0.03518800  0.38712200  0.50000000  1
  Cu  Cu3  1  0.71377400  0.03371300  0.00000000  1
  Cu  Cu4  1  0.96628700  0.68006100  0.00000000  1
  Cu  Cu5  1  0.31993900  0.28622600  0.00000000  1
  B  B6  1  0.66666700  0.33333300  0.50000000  1
  B  B7  1  0.33333300  0.66666700  0.00000000  1
  B  B8  1  0.00000000  0.00000000  0.50000000  1
  O  O9  1  0.44444000  0.58109800  0.00000000  1
  O  O10  1  0.47033300  0.25073400  0.50000000  1
  O  O11  1  0.41890200  0.86334200  0.00000000  1
  O  O12  1  0.78040100  0.52966700  0.50000000  1
  O  O13  1  0.74926600  0.21959900  0.50000000  1
  O  O14  1  0.80312800  0.92202300  0.50000000  1
  O  O15  1  0.13665800  0.55556000  0.00000000  1
  O  O16  1  0.11889500  0.19687200  0.50000000  1
  O  O17  1  0.07797700  0.88110500  0.50000000  1
