# generated using pymatgen
data_Sc6InSn5Ir12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.31236370
_cell_length_b   7.15587034
_cell_length_c   12.93647848
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00010267
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6InSn5Ir12
_chemical_formula_sum   'Sc6 In1 Sn5 Ir12'
_cell_volume   399.20310904
_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  0.00001211  0.50000100  0.99809022  1.0
  Sc  Sc1  1  0.49996738  0.00000000  0.16724766  1.0
  Sc  Sc2  1  0.99996627  0.50000100  0.33338021  1.0
  Sc  Sc3  1  0.49999132  0.00000000  0.49940514  1.0
  Sc  Sc4  1  0.00003322  0.50000100  0.66856595  1.0
  Sc  Sc5  1  0.50004008  0.00000000  0.83331573  1.0
  In  In6  1  0.50004744  0.50000100  0.83333500  1.0
  Sn  Sn7  1  0.00000426  0.00000000  0.00074603  1.0
  Sn  Sn8  1  0.49996675  0.50000100  0.16570149  1.0
  Sn  Sn9  1  0.99996580  0.00000000  0.33331234  1.0
  Sn  Sn10  1  0.49999727  0.50000100  0.50101171  1.0
  Sn  Sn11  1  0.00002196  0.00000000  0.66588160  1.0
  Ir  Ir12  1  0.50000667  0.24801373  0.00118835  1.0
  Ir  Ir13  1  0.50000667  0.75198627  0.00118835  1.0
  Ir  Ir14  1  0.99996544  0.25053977  0.16729188  1.0
  Ir  Ir15  1  0.99996544  0.74946123  0.16729188  1.0
  Ir  Ir16  1  0.49995934  0.25118621  0.33336527  1.0
  Ir  Ir17  1  0.49995934  0.74881379  0.33336527  1.0
  Ir  Ir18  1  0.99999314  0.25051852  0.49938214  1.0
  Ir  Ir19  1  0.99999314  0.74948348  0.49938214  1.0
  Ir  Ir20  1  0.50002920  0.24799921  0.66546263  1.0
  Ir  Ir21  1  0.50002920  0.75200079  0.66546263  1.0
  Ir  Ir22  1  0.00004328  0.24564397  0.83331320  1.0
  Ir  Ir23  1  0.00004328  0.75435703  0.83331320  1.0