# generated using pymatgen
data_Sc12Re(Si4Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02825604
_cell_length_b   10.23394379
_cell_length_c   11.65355031
_cell_angle_alpha   90.11329311
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Re(Si4Ir)3
_chemical_formula_sum   'Sc12 Re1 Si12 Ir3'
_cell_volume   480.41604119
_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  0.25000000  0.87591913  0.01953569  1.0
  Sc  Sc1  1  0.25000000  0.62261023  0.52097528  1.0
  Sc  Sc2  1  0.75000000  0.12136002  0.98116581  1.0
  Sc  Sc3  1  0.75000000  0.37684970  0.48296844  1.0
  Sc  Sc4  1  0.25000000  0.92105514  0.60228312  1.0
  Sc  Sc5  1  0.25000000  0.57982736  0.10427835  1.0
  Sc  Sc6  1  0.75000000  0.07927504  0.39547836  1.0
  Sc  Sc7  1  0.75000000  0.41970209  0.89443152  1.0
  Sc  Sc8  1  0.25000000  0.66263446  0.79764738  1.0
  Sc  Sc9  1  0.25000000  0.84101675  0.29842426  1.0
  Sc  Sc10  1  0.75000000  0.34273064  0.20075315  1.0
  Sc  Sc11  1  0.75000000  0.15583526  0.70128500  1.0
  Re  Re12  1  0.25000000  0.39073430  0.67664371  1.0
  Si  Si13  1  0.25000000  0.01263441  0.82245349  1.0
  Si  Si14  1  0.25000000  0.48607989  0.32309417  1.0
  Si  Si15  1  0.75000000  0.98558328  0.17792144  1.0
  Si  Si16  1  0.75000000  0.51773084  0.67911467  1.0
  Si  Si17  1  0.25000000  0.24844761  0.84301985  1.0
  Si  Si18  1  0.25000000  0.25027516  0.34170864  1.0
  Si  Si19  1  0.75000000  0.75046044  0.15764013  1.0
  Si  Si20  1  0.75000000  0.75358666  0.65678367  1.0
  Si  Si21  1  0.25000000  0.19317452  0.54442052  1.0
  Si  Si22  1  0.25000000  0.30434441  0.04567018  1.0
  Si  Si23  1  0.75000000  0.80585757  0.45373328  1.0
  Si  Si24  1  0.75000000  0.69242034  0.95485228  1.0
  Ir  Ir25  1  0.25000000  0.11011843  0.17682028  1.0
  Ir  Ir26  1  0.75000000  0.61116353  0.32242649  1.0
  Ir  Ir27  1  0.75000000  0.88857180  0.82447083  1.0