# generated using pymatgen
data_LiCuBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16818700
_cell_length_b   5.24498900
_cell_length_c   16.81835200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuBO3
_chemical_formula_sum   'Li8 Cu8 B8 O24'
_cell_volume   455.89647982
_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  0.25103900  0.50626500  0.76421700  1.0
  Li  Li1  1  0.24896100  0.00626500  0.76421700  1.0
  Li  Li2  1  0.75103900  0.50626500  0.73578300  1.0
  Li  Li3  1  0.74896100  0.00626500  0.73578300  1.0
  Li  Li4  1  0.25103900  0.99373500  0.26421700  1.0
  Li  Li5  1  0.24896100  0.49373500  0.26421700  1.0
  Li  Li6  1  0.75103900  0.99373500  0.23578300  1.0
  Li  Li7  1  0.74896100  0.49373500  0.23578300  1.0
  Cu  Cu8  1  0.99526700  0.31101100  0.56860800  1.0
  Cu  Cu9  1  0.50473300  0.81101100  0.56860800  1.0
  Cu  Cu10  1  0.00473300  0.81101100  0.93139200  1.0
  Cu  Cu11  1  0.49526700  0.31101100  0.93139200  1.0
  Cu  Cu12  1  0.99526700  0.18898900  0.06860800  1.0
  Cu  Cu13  1  0.50473300  0.68898900  0.06860800  1.0
  Cu  Cu14  1  0.49526700  0.18898900  0.43139200  1.0
  Cu  Cu15  1  0.00473300  0.68898900  0.43139200  1.0
  B  B16  1  0.48716100  0.29644500  0.62545900  1.0
  B  B17  1  0.01283900  0.79644500  0.62545900  1.0
  B  B18  1  0.98716100  0.29644500  0.87454100  1.0
  B  B19  1  0.51283900  0.79644500  0.87454100  1.0
  B  B20  1  0.48716100  0.20355500  0.12545900  1.0
  B  B21  1  0.01283900  0.70355500  0.12545900  1.0
  B  B22  1  0.98716100  0.20355500  0.37454100  1.0
  B  B23  1  0.51283900  0.70355500  0.37454100  1.0
  O  O24  1  0.66570700  0.48604300  0.60203900  1.0
  O  O25  1  0.83429300  0.98604300  0.60203900  1.0
  O  O26  1  0.14758000  0.66284900  0.56500600  1.0
  O  O27  1  0.35242000  0.16284900  0.56500600  1.0
  O  O28  1  0.95422600  0.25178800  0.79545600  1.0
  O  O29  1  0.54577400  0.75178800  0.79545600  1.0
  O  O30  1  0.45422600  0.25178800  0.70454400  1.0
  O  O31  1  0.04577400  0.75178800  0.70454400  1.0
  O  O32  1  0.64758000  0.66284900  0.93499400  1.0
  O  O33  1  0.85242000  0.16284900  0.93499400  1.0
  O  O34  1  0.16570700  0.48604300  0.89796100  1.0
  O  O35  1  0.33429300  0.98604300  0.89796100  1.0
  O  O36  1  0.66570700  0.01395700  0.10203900  1.0
  O  O37  1  0.83429300  0.51395700  0.10203900  1.0
  O  O38  1  0.14758000  0.83715100  0.06500600  1.0
  O  O39  1  0.35242000  0.33715100  0.06500600  1.0
  O  O40  1  0.95422600  0.24821200  0.29545600  1.0
  O  O41  1  0.54577400  0.74821200  0.29545600  1.0
  O  O42  1  0.45422600  0.24821200  0.20454400  1.0
  O  O43  1  0.04577400  0.74821200  0.20454400  1.0
  O  O44  1  0.64758000  0.83715100  0.43499400  1.0
  O  O45  1  0.85242000  0.33715100  0.43499400  1.0
  O  O46  1  0.16570700  0.01395700  0.39796100  1.0
  O  O47  1  0.33429300  0.51395700  0.39796100  1.0