# generated using pymatgen
data_Sc12Ir6RuRh5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55659550
_cell_length_b   6.39832684
_cell_length_c   13.66558207
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99986976
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Ir6RuRh5
_chemical_formula_sum   'Sc12 Ir6 Ru1 Rh5'
_cell_volume   398.41440536
_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  0.50000021  0.24914857  0.99847344  1.0
  Sc  Sc1  1  0.50000021  0.75085143  0.99847344  1.0
  Sc  Sc2  1  0.99998315  0.25012210  0.16632554  1.0
  Sc  Sc3  1  0.99998315  0.74987790  0.16632554  1.0
  Sc  Sc4  1  0.49998239  0.25007145  0.33333356  1.0
  Sc  Sc5  1  0.49998239  0.74992855  0.33333356  1.0
  Sc  Sc6  1  0.99999976  0.25012534  0.50034236  1.0
  Sc  Sc7  1  0.99999976  0.74987466  0.50034236  1.0
  Sc  Sc8  1  0.50001718  0.24915011  0.66819259  1.0
  Sc  Sc9  1  0.50001718  0.75084989  0.66819259  1.0
  Sc  Sc10  1  0.00001718  0.24816264  0.83333409  1.0
  Sc  Sc11  1  0.00001718  0.75183736  0.83333409  1.0
  Ir  Ir12  1  0.00000060  0.00000000  0.00028593  1.0
  Ir  Ir13  1  0.49998949  0.49999900  0.16690268  1.0
  Ir  Ir14  1  0.99998181  0.00000000  0.33333318  1.0
  Ir  Ir15  1  0.49999967  0.49999900  0.49975578  1.0
  Ir  Ir16  1  0.00001277  0.00000000  0.66638727  1.0
  Ir  Ir17  1  0.50001829  0.49999900  0.83333420  1.0
  Ru  Ru18  1  0.50001660  0.00000000  0.83333742  1.0
  Rh  Rh19  1  0.00000024  0.49999900  0.00070823  1.0
  Rh  Rh20  1  0.49998068  0.00000000  0.16670770  1.0
  Rh  Rh21  1  0.99998251  0.49999900  0.33332523  1.0
  Rh  Rh22  1  0.49999984  0.00000000  0.49995059  1.0
  Rh  Rh23  1  0.00002076  0.49999900  0.66596761  1.0