# generated using pymatgen
data_Li3CuB3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42335500
_cell_length_b   8.86424765
_cell_length_c   9.58656392
_cell_angle_alpha   84.01904790
_cell_angle_beta   89.62903115
_cell_angle_gamma   86.58032448
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuB3O7
_chemical_formula_sum   'Li6 Cu2 B6 O14'
_cell_volume   288.81003751
_cell_formula_units_Z   2
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  0.50373800  0.59351200  0.63908900  1
  Li  Li1  1  0.49626200  0.40648800  0.36091100  1
  Li  Li2  1  0.47496700  0.75578700  0.04200100  1
  Li  Li3  1  0.52503300  0.24421300  0.95799900  1
  Li  Li4  1  0.01143000  0.52888600  0.13458200  1
  Li  Li5  1  0.98857000  0.47111400  0.86541800  1
  Cu  Cu6  1  0.88994400  0.83524500  0.53901300  1
  Cu  Cu7  1  0.11005600  0.16475500  0.46098700  1
  B  B8  1  0.55938700  0.71008400  0.30342200  1
  B  B9  1  0.44061300  0.28991600  0.69657800  1
  B  B10  1  0.73850100  0.98637700  0.25478300  1
  B  B11  1  0.26149900  0.01362300  0.74521700  1
  B  B12  1  0.94850100  0.24640100  0.16349900  1
  B  B13  1  0.05149900  0.75359900  0.83650100  1
  O  O14  1  0.60233000  0.69423400  0.44595500  1
  O  O15  1  0.39767000  0.30576600  0.55404500  1
  O  O16  1  0.84891200  0.99881300  0.38889900  1
  O  O17  1  0.15108800  0.00118700  0.61110100  1
  O  O18  1  0.01974600  0.29989300  0.29069900  1
  O  O19  1  0.98025400  0.70010700  0.70930100  1
  O  O20  1  0.48282800  0.59418200  0.22654600  1
  O  O21  1  0.51717200  0.40581800  0.77345400  1
  O  O22  1  0.59555800  0.85333100  0.21750700  1
  O  O23  1  0.40444200  0.14666900  0.78249300  1
  O  O24  1  0.77030900  0.10634100  0.15092700  1
  O  O25  1  0.22969100  0.89365900  0.84907300  1
  O  O26  1  0.01396200  0.33024500  0.03990200  1
  O  O27  1  0.98603800  0.66975500  0.96009800  1
