# generated using pymatgen
data_LiHo5(Si3Ru)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.05056319
_cell_length_b   10.05056308
_cell_length_c   8.05940792
_cell_angle_alpha   90.00707218
_cell_angle_beta   90.00707745
_cell_angle_gamma   132.73173225
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHo5(Si3Ru)8
_chemical_formula_sum   'Li1 Ho5 Si24 Ru8'
_cell_volume   597.99658910
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1.0
  Ho  Ho1  1  0.00000000  0.00000000  0.00000000  1.0
  Ho  Ho2  1  0.50244259  0.00239823  0.74920076  1.0
  Ho  Ho3  1  0.99760177  0.49755741  0.25079924  1.0
  Ho  Ho4  1  0.49755741  0.99760177  0.25079924  1.0
  Ho  Ho5  1  0.00239823  0.50244259  0.74920076  1.0
  Si  Si6  1  0.79661562  0.20338438  0.50000000  1.0
  Si  Si7  1  0.29615989  0.70384011  0.00000000  1.0
  Si  Si8  1  0.20338438  0.79661562  0.50000000  1.0
  Si  Si9  1  0.70384011  0.29615989  1.00000000  1.0
  Si  Si10  1  0.33746493  0.33746493  0.82831608  1.0
  Si  Si11  1  0.66253507  0.66253507  0.17168392  1.0
  Si  Si12  1  0.17189683  0.17189683  0.33761350  1.0
  Si  Si13  1  0.82810317  0.82810317  0.66238650  1.0
  Si  Si14  1  0.12289760  0.88962132  0.72767779  1.0
  Si  Si15  1  0.11037868  0.87710240  0.27232221  1.0
  Si  Si16  1  0.60779909  0.37835765  0.23352634  1.0
  Si  Si17  1  0.62164235  0.39220091  0.76647366  1.0
  Si  Si18  1  0.87710240  0.11037868  0.27232221  1.0
  Si  Si19  1  0.88962132  0.12289760  0.72767779  1.0
  Si  Si20  1  0.39220091  0.62164235  0.76647366  1.0
  Si  Si21  1  0.37835765  0.60779909  0.23352634  1.0
  Si  Si22  1  0.34841281  0.11948380  0.50740632  1.0
  Si  Si23  1  0.88051620  0.65158719  0.49259368  1.0
  Si  Si24  1  0.38926245  0.15573508  0.00635686  1.0
  Si  Si25  1  0.84426492  0.61073755  0.99364314  1.0
  Si  Si26  1  0.65158719  0.88051620  0.49259368  1.0
  Si  Si27  1  0.11948380  0.34841281  0.50740632  1.0
  Si  Si28  1  0.61073755  0.84426492  0.99364314  1.0
  Si  Si29  1  0.15573508  0.38926245  0.00635686  1.0
  Ru  Ru30  1  0.67170303  0.32829697  0.50000000  1.0
  Ru  Ru31  1  0.17051210  0.82948790  1.00000000  1.0
  Ru  Ru32  1  0.32829697  0.67170303  0.50000000  1.0
  Ru  Ru33  1  0.82948790  0.17051210  0.00000000  1.0
  Ru  Ru34  1  0.12423232  0.12423232  0.62923960  1.0
  Ru  Ru35  1  0.87576768  0.87576768  0.37076040  1.0
  Ru  Ru36  1  0.37090986  0.37090986  0.12419858  1.0
  Ru  Ru37  1  0.62909014  0.62909014  0.87580142  1.0