# generated using pymatgen
data_LiCuBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.13012008
_cell_length_b   14.07991106
_cell_length_c   3.14218516
_cell_angle_alpha   88.59013231
_cell_angle_beta   91.07711513
_cell_angle_gamma   120.16954336
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuBO3
_chemical_formula_sum   'Li9 Cu9 B9 O27'
_cell_volume   540.28155730
_cell_formula_units_Z   9
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  0.09782000  0.87603900  0.51588200  1
  Li  Li1  1  0.10859200  0.56117600  0.48428000  1
  Li  Li2  1  0.45268400  0.89167800  0.55619700  1
  Li  Li3  1  0.12332600  0.22056700  0.50638700  1
  Li  Li4  1  0.43790500  0.54778800  0.45227300  1
  Li  Li5  1  0.44778900  0.24976300  0.50198400  1
  Li  Li6  1  0.77865800  0.90358500  0.48784000  1
  Li  Li7  1  0.80121200  0.55176900  0.49026700  1
  Li  Li8  1  0.74915800  0.19771500  0.50298000  1
  Cu  Cu9  1  0.24468100  0.78858100  0.06385100  1
  Cu  Cu10  1  0.20646500  0.45279700  0.00933700  1
  Cu  Cu11  1  0.21486300  0.09775100  0.99603100  1
  Cu  Cu12  1  0.54651600  0.75544600  0.93979200  1
  Cu  Cu13  1  0.58002100  0.46692000  0.96852400  1
  Cu  Cu14  1  0.53253600  0.11398700  0.03980700  1
  Cu  Cu15  1  0.88149600  0.78378500  0.96756700  1
  Cu  Cu16  1  0.88325800  0.41893100  0.96809300  1
  Cu  Cu17  1  0.90049900  0.11821400  0.02774900  1
  B  B18  1  0.00661000  0.66559400  0.99690400  1
  B  B19  1  0.33314800  0.66712000  0.99832600  1
  B  B20  1  0.33328800  0.34167800  0.98968500  1
  B  B21  1  0.65784700  0.99261000  0.01389800  1
  B  B22  1  0.33041800  0.00738100  0.53201400  1
  B  B23  1  0.67721100  0.66923200  0.46334100  1
  B  B24  1  0.66637200  0.33313500  0.00104900  1
  B  B25  1  0.99993100  0.00011700  0.00812800  1
  B  B26  1  0.99079100  0.32205400  0.50874900  1
  O  O27  1  0.02800700  0.91893000  0.01424000  1
  O  O28  1  0.00984500  0.56886300  0.96121200  1
  O  O29  1  0.10005700  0.76472400  0.08756600  1
  O  O30  1  0.31755800  0.90395200  0.55316500  1
  O  O31  1  0.09416100  0.41229100  0.51089400  1
  O  O32  1  0.22083200  0.60015900  0.99851200  1
  O  O33  1  0.37730100  0.77806400  0.05681800  1
  O  O34  1  0.08163000  0.10932900  0.02950600  1
  O  O35  1  0.55796900  0.98747500  0.06162900  1
  O  O36  1  0.23431600  0.33460900  0.07825500  1
  O  O37  1  0.39999200  0.62371700  0.94007500  1
  O  O38  1  0.66541100  0.90168100  0.90314100  1
  O  O39  1  0.33755600  0.24609800  0.94247500  1
  O  O40  1  0.42976600  0.44239500  0.95269100  1
  O  O41  1  0.24030400  0.02252300  0.51861200  1
  O  O42  1  0.58750400  0.68306600  0.45253000  1
  O  O43  1  0.66393800  0.56384800  0.47014900  1
  O  O44  1  0.43550400  0.09997300  0.52307300  1
  O  O45  1  0.89131500  0.97233100  0.97893500  1
  O  O46  1  0.78299600  0.76005400  0.46890100  1
  O  O47  1  0.56156000  0.31778400  0.01325900  1
  O  O48  1  0.68192800  0.24413000  0.97889000  1
  O  O49  1  0.75605200  0.43854700  0.01038200  1
  O  O50  1  0.90664100  0.66109400  0.94473100  1
  O  O51  1  0.75317600  0.09247500  0.07216300  1
  O  O52  1  0.89937100  0.33506000  0.49643700  1
  O  O53  1  0.97668100  0.21632900  0.51664100  1
