# generated using pymatgen
data_Sc22FeRu4Rh3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.44967738
_cell_length_b   9.42028777
_cell_length_c   9.43357218
_cell_angle_alpha   60.15964048
_cell_angle_beta   59.85046960
_cell_angle_gamma   60.04697274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc22FeRu4Rh3
_chemical_formula_sum   'Sc22 Fe1 Ru4 Rh3'
_cell_volume   594.05021155
_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  0.80362289  0.80362289  0.19637711  1.0
  Sc  Sc1  1  0.19835504  0.80164496  0.19831212  1.0
  Sc  Sc2  1  0.80413194  0.19586806  0.19595041  1.0
  Sc  Sc3  1  0.19637711  0.19637711  0.80362289  1.0
  Sc  Sc4  1  0.80164496  0.19835504  0.80168788  1.0
  Sc  Sc5  1  0.19586806  0.80413194  0.80404959  1.0
  Sc  Sc6  1  0.61376224  0.61589254  0.15816854  1.0
  Sc  Sc7  1  0.61607732  0.15710472  0.61430453  1.0
  Sc  Sc8  1  0.15710472  0.61607732  0.61251443  1.0
  Sc  Sc9  1  0.61589254  0.61376224  0.61217768  1.0
  Sc  Sc10  1  0.38623776  0.38410746  0.84183146  1.0
  Sc  Sc11  1  0.38392268  0.84289528  0.38569547  1.0
  Sc  Sc12  1  0.84289528  0.38392268  0.38748557  1.0
  Sc  Sc13  1  0.38410746  0.38623776  0.38782232  1.0
  Sc  Sc14  1  0.84645182  0.84213523  0.46934942  1.0
  Sc  Sc15  1  0.84435108  0.47046482  0.84048320  1.0
  Sc  Sc16  1  0.47046482  0.84435108  0.84469990  1.0
  Sc  Sc17  1  0.84213523  0.84645182  0.84206153  1.0
  Sc  Sc18  1  0.15354818  0.15786477  0.53065058  1.0
  Sc  Sc19  1  0.15564892  0.52953518  0.15951680  1.0
  Sc  Sc20  1  0.52953518  0.15564892  0.15530010  1.0
  Sc  Sc21  1  0.15786477  0.15354818  0.15793847  1.0
  Fe  Fe22  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru23  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru24  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru25  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru26  1  0.50000000  0.00000000  0.00000000  1.0
  Rh  Rh27  1  0.50000000  0.00000000  0.50000000  1.0
  Rh  Rh28  1  0.50000000  0.50000000  0.00000000  1.0
  Rh  Rh29  1  0.00000000  0.50000000  0.00000000  1.0