# generated using pymatgen
data_Sc8Ni3Ir4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42787104
_cell_length_b   4.50654149
_cell_length_c   9.00799672
_cell_angle_alpha   90.00000000
_cell_angle_beta   89.99933577
_cell_angle_gamma   89.99997496
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc8Ni3Ir4Ru
_chemical_formula_sum   'Sc8 Ni3 Ir4 Ru1'
_cell_volume   260.93885264
_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  0.50080289  0.75000000  0.12498721  1.0
  Sc  Sc1  1  0.99919417  0.75000000  0.12497280  1.0
  Sc  Sc2  1  0.50006700  0.25000000  0.37499989  1.0
  Sc  Sc3  1  0.99992043  0.25000000  0.37501553  1.0
  Sc  Sc4  1  0.00070825  0.75000000  0.62499178  1.0
  Sc  Sc5  1  0.49929721  0.75000000  0.62497985  1.0
  Sc  Sc6  1  0.99995906  0.25000000  0.87500962  1.0
  Sc  Sc7  1  0.50005835  0.25000000  0.87501472  1.0
  Ni  Ni8  1  0.24996344  0.75000000  0.37588620  1.0
  Ni  Ni9  1  0.74998207  0.25000000  0.62514109  1.0
  Ni  Ni10  1  0.25002999  0.75000000  0.87401054  1.0
  Ir  Ir11  1  0.24999749  0.25000000  0.12502172  1.0
  Ir  Ir12  1  0.75000646  0.75000000  0.37777694  1.0
  Ir  Ir13  1  0.25000834  0.25000000  0.62499902  1.0
  Ir  Ir14  1  0.74999857  0.75000000  0.87219403  1.0
  Ru  Ru15  1  0.75000328  0.25000000  0.12499706  1.0