# generated using pymatgen
data_Sc12Si16Ni5Ir3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.99479574
_cell_length_b   11.62269227
_cell_length_c   12.21088273
_cell_angle_alpha   89.84058322
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Si16Ni5Ir3
_chemical_formula_sum   'Sc12 Si16 Ni5 Ir3'
_cell_volume   566.95252935
_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  0.75000000  0.97877368  0.81639172  1.0
  Sc  Sc1  1  0.25000000  0.02108844  0.17665821  1.0
  Sc  Sc2  1  0.75000000  0.47880472  0.67882158  1.0
  Sc  Sc3  1  0.25000000  0.52087397  0.32136944  1.0
  Sc  Sc4  1  0.75000000  0.75167236  0.64978113  1.0
  Sc  Sc5  1  0.25000000  0.24295547  0.35199827  1.0
  Sc  Sc6  1  0.75000000  0.25314348  0.84802555  1.0
  Sc  Sc7  1  0.25000000  0.74597243  0.14949800  1.0
  Sc  Sc8  1  0.75000000  0.69484491  0.91488985  1.0
  Sc  Sc9  1  0.25000000  0.30437990  0.08479085  1.0
  Sc  Sc10  1  0.75000000  0.19765494  0.58385647  1.0
  Sc  Sc11  1  0.25000000  0.81215232  0.41761898  1.0
  Si  Si12  1  0.75000000  0.94061765  0.53849578  1.0
  Si  Si13  1  0.25000000  0.05935576  0.47819875  1.0
  Si  Si14  1  0.75000000  0.43668840  0.97100220  1.0
  Si  Si15  1  0.25000000  0.56189842  0.02899059  1.0
  Si  Si16  1  0.75000000  0.89844864  0.05748525  1.0
  Si  Si17  1  0.25000000  0.10049572  0.93874006  1.0
  Si  Si18  1  0.75000000  0.39669180  0.44000292  1.0
  Si  Si19  1  0.25000000  0.60555979  0.55961120  1.0
  Si  Si20  1  0.75000000  0.87924720  0.25770470  1.0
  Si  Si21  1  0.25000000  0.11985917  0.73745885  1.0
  Si  Si22  1  0.75000000  0.37735148  0.24261908  1.0
  Si  Si23  1  0.25000000  0.62189872  0.75765685  1.0
  Si  Si24  1  0.75000000  0.67760027  0.30054392  1.0
  Si  Si25  1  0.25000000  0.32376978  0.69991284  1.0
  Si  Si26  1  0.75000000  0.17523715  0.20184900  1.0
  Si  Si27  1  0.25000000  0.82446185  0.79520206  1.0
  Ni  Ni28  1  0.25000000  0.95022608  0.63757955  1.0
  Ni  Ni29  1  0.75000000  0.59778288  0.47146113  1.0
  Ni  Ni30  1  0.25000000  0.40335579  0.52819941  1.0
  Ni  Ni31  1  0.75000000  0.10064337  0.02801340  1.0
  Ni  Ni32  1  0.25000000  0.89812655  0.96813484  1.0
  Ir  Ir33  1  0.75000000  0.55012603  0.13620012  1.0
  Ir  Ir34  1  0.25000000  0.44928950  0.86405070  1.0
  Ir  Ir35  1  0.75000000  0.04895141  0.36718676  1.0