# generated using pymatgen
data_Sc12Re3Si12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.75702776
_cell_length_b   3.94213940
_cell_length_c   10.43047642
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.14172027
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Re3Si12Ir
_chemical_formula_sum   'Sc12 Re3 Si12 Ir1'
_cell_volume   483.42859757
_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
  Sc  Sc0  1  0.51728415  0.24999900  0.62499822  1.0
  Sc  Sc1  1  0.98340091  0.75000100  0.12321099  1.0
  Sc  Sc2  1  0.01883638  0.24999900  0.87673497  1.0
  Sc  Sc3  1  0.48376748  0.75000100  0.37763909  1.0
  Sc  Sc4  1  0.29807530  0.24999900  0.83870008  1.0
  Sc  Sc5  1  0.20185257  0.75000100  0.33876593  1.0
  Sc  Sc6  1  0.79754686  0.24999900  0.66293029  1.0
  Sc  Sc7  1  0.70185513  0.75000100  0.15573071  1.0
  Sc  Sc8  1  0.10641293  0.24999900  0.57729800  1.0
  Sc  Sc9  1  0.39277762  0.75000100  0.07713850  1.0
  Sc  Sc10  1  0.60488571  0.24999900  0.92308185  1.0
  Sc  Sc11  1  0.89108032  0.75000100  0.42219505  1.0
  Re  Re12  1  0.17675975  0.24999900  0.11297166  1.0
  Re  Re13  1  0.32256175  0.75000100  0.61351092  1.0
  Re  Re14  1  0.67845217  0.24999900  0.38860109  1.0
  Si  Si15  1  0.04282486  0.24999900  0.30723587  1.0
  Si  Si16  1  0.45666066  0.75000100  0.80927442  1.0
  Si  Si17  1  0.54450917  0.24999900  0.19345665  1.0
  Si  Si18  1  0.95468199  0.75000100  0.69379467  1.0
  Si  Si19  1  0.34573723  0.24999900  0.24830543  1.0
  Si  Si20  1  0.15425862  0.75000100  0.74863658  1.0
  Si  Si21  1  0.84386698  0.24999900  0.24790180  1.0
  Si  Si22  1  0.65663718  0.75000100  0.75347907  1.0
  Si  Si23  1  0.32261706  0.24999900  0.48063774  1.0
  Si  Si24  1  0.17758740  0.75000100  0.98011678  1.0
  Si  Si25  1  0.82373607  0.24999900  0.01485449  1.0
  Si  Si26  1  0.67804217  0.75000100  0.52166548  1.0
  Ir  Ir27  1  0.82328959  0.75000100  0.88713767  1.0