# generated using pymatgen
data_Sc12Si12TcIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02700625
_cell_length_b   10.23528831
_cell_length_c   11.66393014
_cell_angle_alpha   90.08546217
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Si12TcIr3
_chemical_formula_sum   'Sc12 Si12 Tc1 Ir3'
_cell_volume   480.75832207
_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  0.87612855  0.01958272  1.0
  Sc  Sc1  1  0.25000000  0.62263190  0.52113132  1.0
  Sc  Sc2  1  0.75000000  0.12128248  0.98092183  1.0
  Sc  Sc3  1  0.75000000  0.37707459  0.48200583  1.0
  Sc  Sc4  1  0.25000000  0.92104496  0.60254365  1.0
  Sc  Sc5  1  0.25000000  0.57982430  0.10450034  1.0
  Sc  Sc6  1  0.75000000  0.07938442  0.39524635  1.0
  Sc  Sc7  1  0.75000000  0.41970481  0.89558152  1.0
  Sc  Sc8  1  0.25000000  0.66256008  0.79765306  1.0
  Sc  Sc9  1  0.25000000  0.84056478  0.29851599  1.0
  Sc  Sc10  1  0.75000000  0.34261900  0.20060977  1.0
  Sc  Sc11  1  0.75000000  0.15644583  0.70110114  1.0
  Si  Si12  1  0.25000000  0.01302071  0.82239993  1.0
  Si  Si13  1  0.25000000  0.48609586  0.32342883  1.0
  Si  Si14  1  0.75000000  0.98549416  0.17782737  1.0
  Si  Si15  1  0.75000000  0.51662582  0.67921936  1.0
  Si  Si16  1  0.25000000  0.24888693  0.84282467  1.0
  Si  Si17  1  0.25000000  0.25050015  0.34163490  1.0
  Si  Si18  1  0.75000000  0.75068155  0.15745202  1.0
  Si  Si19  1  0.75000000  0.75301813  0.65673693  1.0
  Si  Si20  1  0.25000000  0.19333683  0.54405334  1.0
  Si  Si21  1  0.25000000  0.30379844  0.04579965  1.0
  Si  Si22  1  0.75000000  0.80586554  0.45386690  1.0
  Si  Si23  1  0.75000000  0.69253657  0.95483675  1.0
  Tc  Tc24  1  0.25000000  0.39082991  0.67708580  1.0
  Ir  Ir25  1  0.25000000  0.11014303  0.17714712  1.0
  Ir  Ir26  1  0.75000000  0.61148007  0.32222800  1.0
  Ir  Ir27  1  0.75000000  0.88841860  0.82406292  1.0