# generated using pymatgen
data_LiCuBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.14218500
_cell_length_b   14.06892106
_cell_length_c   14.07991035
_cell_angle_alpha   119.73799552
_cell_angle_beta   91.40986344
_cell_angle_gamma   89.67091519
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuBO3
_chemical_formula_sum   'Li9 Cu9 B9 O27'
_cell_volume   540.28149260
_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  0.48411800  0.90218000  0.77821900  1
  Li  Li1  1  0.51572000  0.89140800  0.45258400  1
  Li  Li2  1  0.44380300  0.54731600  0.43899400  1
  Li  Li3  1  0.49361300  0.87667400  0.09724100  1
  Li  Li4  1  0.54772700  0.56209500  0.10988300  1
  Li  Li5  1  0.49801600  0.55221100  0.80197400  1
  Li  Li6  1  0.51216000  0.22134200  0.12492600  1
  Li  Li7  1  0.50973300  0.19878800  0.75055700  1
  Li  Li8  1  0.49702000  0.25084200  0.44855600  1
  Cu  Cu9  1  0.93614900  0.75531900  0.54390000  1
  Cu  Cu10  1  0.99066300  0.79353500  0.24633200  1
  Cu  Cu11  1  0.00396900  0.78513700  0.88288700  1
  Cu  Cu12  1  0.06020800  0.45348400  0.20893100  1
  Cu  Cu13  1  0.03147600  0.41997900  0.88690000  1
  Cu  Cu14  1  0.96019300  0.46746400  0.58145100  1
  Cu  Cu15  1  0.03243300  0.11850400  0.90228900  1
  Cu  Cu16  1  0.03190700  0.11674200  0.53567300  1
  Cu  Cu17  1  0.97225100  0.09950100  0.21771400  1
  B  B18  1  0.00309600  0.99339000  0.65898400  1
  B  B19  1  0.00167400  0.66685200  0.33397100  1
  B  B20  1  0.01031500  0.66671200  0.00839000  1
  B  B21  1  0.98610200  0.34215300  0.33476300  1
  B  B22  1  0.46798600  0.66958200  0.67696300  1
  B  B23  1  0.53665900  0.32278900  0.99202000  1
  B  B24  1  0.99895100  0.33362800  0.66676300  1
  B  B25  1  0.99187200  0.00006900  0.00018600  1
  B  B26  1  0.49125100  0.00920900  0.33126300  1
  O  O27  1  0.98576000  0.97199300  0.89092300  1
  O  O28  1  0.03878800  0.99015500  0.55901800  1
  O  O29  1  0.91243400  0.89994300  0.66466700  1
  O  O30  1  0.44683500  0.68244200  0.58639400  1
  O  O31  1  0.48910600  0.90583900  0.31813000  1
  O  O32  1  0.00148800  0.77916800  0.37932600  1
  O  O33  1  0.94318200  0.62269900  0.40076400  1
  O  O34  1  0.97049400  0.91837000  0.02770000  1
  O  O35  1  0.93837100  0.44203100  0.42950600  1
  O  O36  1  0.92174500  0.76568400  0.10029300  1
  O  O37  1  0.05992500  0.60000800  0.22372500  1
  O  O38  1  0.09685900  0.33458900  0.23627100  1
  O  O39  1  0.05752500  0.66244400  0.90854200  1
  O  O40  1  0.04730900  0.57023400  0.01262800  1
  O  O41  1  0.48138800  0.75969600  0.78221800  1
  O  O42  1  0.54747000  0.41249600  0.09556200  1
  O  O43  1  0.52985100  0.33606200  0.89990900  1
  O  O44  1  0.47692700  0.56449600  0.66446900  1
  O  O45  1  0.02106500  0.10868500  0.08101600  1
  O  O46  1  0.53109900  0.21700400  0.97705800  1
  O  O47  1  0.98674100  0.43844000  0.75622400  1
  O  O48  1  0.02111000  0.31807200  0.56220200  1
  O  O49  1  0.98961800  0.24394800  0.68249500  1
  O  O50  1  0.05526900  0.09335900  0.75445300  1
  O  O51  1  0.92783700  0.24682400  0.33929900  1
  O  O52  1  0.50356300  0.10062900  0.43568900  1
  O  O53  1  0.48335900  0.02331900  0.23964800  1
