# generated using pymatgen
data_Sc12Co(Si4Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02690953
_cell_length_b   10.12021739
_cell_length_c   11.62757671
_cell_angle_alpha   89.80138604
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Co(Si4Ir)3
_chemical_formula_sum   'Sc12 Co1 Si12 Ir3'
_cell_volume   473.85811088
_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  0.87860780  0.01893505  1.0
  Sc  Sc1  1  0.25000000  0.61828095  0.52308097  1.0
  Sc  Sc2  1  0.75000000  0.12394143  0.97862789  1.0
  Sc  Sc3  1  0.75000000  0.37749880  0.47866662  1.0
  Sc  Sc4  1  0.25000000  0.91852947  0.60405028  1.0
  Sc  Sc5  1  0.25000000  0.58125807  0.10248955  1.0
  Sc  Sc6  1  0.75000000  0.08046631  0.39863041  1.0
  Sc  Sc7  1  0.75000000  0.42047532  0.90083360  1.0
  Sc  Sc8  1  0.25000000  0.65158082  0.79885947  1.0
  Sc  Sc9  1  0.25000000  0.84080604  0.29988113  1.0
  Sc  Sc10  1  0.75000000  0.34176678  0.20001368  1.0
  Sc  Sc11  1  0.75000000  0.16466629  0.69979544  1.0
  Co  Co12  1  0.25000000  0.38808190  0.67667022  1.0
  Si  Si13  1  0.25000000  0.01646563  0.82120600  1.0
  Si  Si14  1  0.25000000  0.48718754  0.32247926  1.0
  Si  Si15  1  0.75000000  0.98754703  0.17808221  1.0
  Si  Si16  1  0.75000000  0.50215227  0.67893329  1.0
  Si  Si17  1  0.25000000  0.25567253  0.83758248  1.0
  Si  Si18  1  0.25000000  0.25106863  0.34244006  1.0
  Si  Si19  1  0.75000000  0.75194089  0.15727410  1.0
  Si  Si20  1  0.75000000  0.74477684  0.65891426  1.0
  Si  Si21  1  0.25000000  0.19768356  0.54700712  1.0
  Si  Si22  1  0.25000000  0.30689638  0.04401406  1.0
  Si  Si23  1  0.75000000  0.80480208  0.45622568  1.0
  Si  Si24  1  0.75000000  0.69487284  0.95418033  1.0
  Ir  Ir25  1  0.25000000  0.11184825  0.17705948  1.0
  Ir  Ir26  1  0.75000000  0.61157770  0.32296896  1.0
  Ir  Ir27  1  0.75000000  0.88954984  0.82109941  1.0