# generated using pymatgen
data_LiCuBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.81835200
_cell_length_b   5.16818700
_cell_length_c   5.24498900
_cell_angle_alpha   90.00067123
_cell_angle_beta   89.99955738
_cell_angle_gamma   89.99891002
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuBO3
_chemical_formula_sum   'Li8 Cu8 B8 O24'
_cell_volume   455.89647975
_cell_formula_units_Z   8
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  0.26420400  0.25104400  0.50626800  1
  Li  Li1  1  0.26421300  0.24893200  0.00622200  1
  Li  Li2  1  0.23576000  0.75102800  0.50625600  1
  Li  Li3  1  0.23576200  0.74895200  0.00624500  1
  Li  Li4  1  0.76417700  0.25106700  0.99372700  1
  Li  Li5  1  0.76417400  0.24896700  0.49373700  1
  Li  Li6  1  0.73577000  0.75102300  0.99373900  1
  Li  Li7  1  0.73577000  0.74895800  0.49373700  1
  Cu  Cu8  1  0.06859500  0.99527200  0.31101400  1
  Cu  Cu9  1  0.06854300  0.50476600  0.81099800  1
  Cu  Cu10  1  0.43167200  0.00480200  0.81071600  1
  Cu  Cu11  1  0.43129000  0.49538400  0.31090600  1
  Cu  Cu12  1  0.56858900  0.99523600  0.18912000  1
  Cu  Cu13  1  0.56874200  0.50468300  0.68896400  1
  Cu  Cu14  1  0.93148700  0.49528500  0.18924400  1
  Cu  Cu15  1  0.93133500  0.00461800  0.68918800  1
  B  B16  1  0.12544600  0.48716600  0.29644800  1
  B  B17  1  0.12543500  0.01285000  0.79646100  1
  B  B18  1  0.37455000  0.98720700  0.29645800  1
  B  B19  1  0.37453900  0.51285500  0.79650100  1
  B  B20  1  0.62547600  0.48715900  0.20351800  1
  B  B21  1  0.62546200  0.01282100  0.70357300  1
  B  B22  1  0.87456200  0.98712200  0.20352300  1
  B  B23  1  0.87455300  0.51285100  0.70354000  1
  O  O24  1  0.10202600  0.66571300  0.48604600  1
  O  O25  1  0.10202700  0.83458400  0.98633800  1
  O  O26  1  0.06499300  0.14758600  0.66285200  1
  O  O27  1  0.06499300  0.35210300  0.16312100  1
  O  O28  1  0.29544300  0.95423200  0.25179100  1
  O  O29  1  0.29543400  0.54568000  0.75179400  1
  O  O30  1  0.20452100  0.45426000  0.25181600  1
  O  O31  1  0.20452100  0.04571100  0.75180900  1
  O  O32  1  0.43498100  0.64724200  0.66266100  1
  O  O33  1  0.43501000  0.85194700  0.16349100  1
  O  O34  1  0.39788400  0.16598300  0.48575100  1
  O  O35  1  0.39788300  0.33481900  0.98658600  1
  O  O36  1  0.60203600  0.66551400  0.01380000  1
  O  O37  1  0.60204100  0.83441500  0.51387500  1
  O  O38  1  0.56503900  0.14779600  0.83704400  1
  O  O39  1  0.56505500  0.35224800  0.33709400  1
  O  O40  1  0.79546800  0.95432100  0.24815100  1
  O  O41  1  0.79547000  0.54567800  0.74814500  1
  O  O42  1  0.70455600  0.45432200  0.24813500  1
  O  O43  1  0.70455000  0.04571100  0.74814600  1
  O  O44  1  0.93502100  0.64805100  0.83682700  1
  O  O45  1  0.93503900  0.85245300  0.33722900  1
  O  O46  1  0.89795500  0.16549400  0.01346800  1
  O  O47  1  0.89795100  0.33408800  0.51393100  1
