# generated using pymatgen
data_Pr3Sc7(Si5Ir2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.48979452
_cell_length_b   12.48979452
_cell_length_c   4.17853307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.14031151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pr3Sc7(Si5Ir2)4
_chemical_formula_sum   'Pr3 Sc7 Si20 Ir8'
_cell_volume   651.82817467
_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
  Pr  Pr0  1  0.11479395  0.61452830  0.50000000  1.0
  Pr  Pr1  1  0.88547170  0.38520605  0.50000000  1.0
  Pr  Pr2  1  0.61351132  0.88648868  0.50000000  1.0
  Sc  Sc3  1  0.38507918  0.11492082  0.50000000  1.0
  Sc  Sc4  1  0.67198192  0.17428331  0.50000000  1.0
  Sc  Sc5  1  0.32571669  0.82801808  0.50000000  1.0
  Sc  Sc6  1  0.17656730  0.32343270  0.50000000  1.0
  Sc  Sc7  1  0.82501965  0.67498035  0.50000000  1.0
  Sc  Sc8  1  0.00134967  0.00008402  0.00000000  1.0
  Sc  Sc9  1  0.49991598  0.49865033  0.00000000  1.0
  Si  Si10  1  0.56647306  0.06922580  0.00000000  1.0
  Si  Si11  1  0.43077420  0.93352694  0.00000000  1.0
  Si  Si12  1  0.07050737  0.42949263  0.00000000  1.0
  Si  Si13  1  0.93019544  0.56980456  0.00000000  1.0
  Si  Si14  1  0.20333665  0.16420661  0.00000000  1.0
  Si  Si15  1  0.79934814  0.83556672  0.00000000  1.0
  Si  Si16  1  0.16591107  0.80142508  0.00000000  1.0
  Si  Si17  1  0.69857492  0.33408893  0.00000000  1.0
  Si  Si18  1  0.83459875  0.20069365  0.00000000  1.0
  Si  Si19  1  0.29930635  0.66540125  0.00000000  1.0
  Si  Si20  1  0.66443328  0.70065186  0.00000000  1.0
  Si  Si21  1  0.33579339  0.29666335  0.00000000  1.0
  Si  Si22  1  0.01115452  0.14938097  0.50000000  1.0
  Si  Si23  1  0.99080218  0.85083052  0.50000000  1.0
  Si  Si24  1  0.15370475  0.99482098  0.50000000  1.0
  Si  Si25  1  0.50517902  0.34629525  0.50000000  1.0
  Si  Si26  1  0.85037064  0.01089854  0.50000000  1.0
  Si  Si27  1  0.48910146  0.64962936  0.50000000  1.0
  Si  Si28  1  0.64916948  0.50919782  0.50000000  1.0
  Si  Si29  1  0.35061903  0.48884548  0.50000000  1.0
  Ir  Ir30  1  0.02414868  0.23962324  0.00000000  1.0
  Ir  Ir31  1  0.97736377  0.76035075  0.00000000  1.0
  Ir  Ir32  1  0.24484547  0.97989581  0.00000000  1.0
  Ir  Ir33  1  0.52010419  0.25515453  0.00000000  1.0
  Ir  Ir34  1  0.75855978  0.02380795  0.00000000  1.0
  Ir  Ir35  1  0.47619205  0.74144022  0.00000000  1.0
  Ir  Ir36  1  0.73964925  0.52263623  0.00000000  1.0
  Ir  Ir37  1  0.26037676  0.47585132  0.00000000  1.0