# generated using pymatgen
data_Li2CuB4(PbO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70763844
_cell_length_b   8.70763844
_cell_length_c   13.91363696
_cell_angle_alpha   56.22185194
_cell_angle_beta   56.22185194
_cell_angle_gamma   32.07452034
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuB4(PbO5)2
_chemical_formula_sum   'Li4 Cu2 B8 Pb4 O20'
_cell_volume   456.95959602
_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  0.13229304  0.50008112  0.13272783  1
  Li  Li1  1  0.49991888  0.86770696  0.36727217  1
  Li  Li2  1  0.86770696  0.49991888  0.86727217  1
  Li  Li3  1  0.50008112  0.13229304  0.63272783  1
  Cu  Cu4  1  -0.00000000  0.50000000  0.00000000  1
  Cu  Cu5  1  0.50000000  -0.00000000  0.50000000  1
  B  B6  1  0.03412688  0.66259816  0.31803474  1
  B  B7  1  0.33740184  0.96587312  0.18196526  1
  B  B8  1  0.96587312  0.33740184  0.68196526  1
  B  B9  1  0.66259816  0.03412688  0.81803474  1
  B  B10  1  0.08341725  0.66585737  0.47941911  1
  B  B11  1  0.33414263  0.91658275  0.02058089  1
  B  B12  1  0.91658275  0.33414263  0.52058089  1
  B  B13  1  0.66585737  0.08341725  0.97941911  1
  Pb  Pb14  1  0.65071163  0.28516222  0.13956983  1
  Pb  Pb15  1  0.71483778  0.34928837  0.36043017  1
  Pb  Pb16  1  0.34928837  0.71483778  0.86043017  1
  Pb  Pb17  1  0.28516222  0.65071163  0.63956983  1
  O  O18  1  0.17871659  0.56759580  0.21574604  1
  O  O19  1  0.43240420  0.82128341  0.28425396  1
  O  O20  1  0.82128341  0.43240420  0.78425396  1
  O  O21  1  0.56759580  0.17871659  0.71574604  1
  O  O22  1  0.14737892  0.25863800  0.14485075  1
  O  O23  1  0.74136200  0.85262108  0.35514925  1
  O  O24  1  0.85262108  0.74136200  0.85514925  1
  O  O25  1  0.25863800  0.14737892  0.64485075  1
  O  O26  1  0.86939659  0.79655780  0.02935914  1
  O  O27  1  0.20344220  0.13060341  0.47064086  1
  O  O28  1  0.13060341  0.20344220  0.97064086  1
  O  O29  1  0.79655780  0.86939659  0.52935914  1
  O  O30  1  0.19504573  0.57203852  0.37871550  1
  O  O31  1  0.42796148  0.80495427  0.12128450  1
  O  O32  1  0.80495427  0.42796148  0.62128450  1
  O  O33  1  0.57203852  0.19504573  0.87871550  1
  O  O34  1  0.53644913  0.29696051  0.01815766  1
  O  O35  1  0.70303949  0.46355087  0.48184234  1
  O  O36  1  0.46355087  0.70303949  0.98184234  1
  O  O37  1  0.29696051  0.53644913  0.51815766  1
