# generated using pymatgen
data_Sc4Al18(NiRu)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37619064
_cell_length_b   7.37619163
_cell_length_c   9.15986749
_cell_angle_alpha   89.79617075
_cell_angle_beta   89.79617158
_cell_angle_gamma   120.17889333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Al18(NiRu)3
_chemical_formula_sum   'Sc4 Al18 Ni3 Ru3'
_cell_volume   430.81159975
_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  0.99862770  0.66784594  0.25109627  1.0
  Sc  Sc1  1  0.00661826  0.33709723  0.74963836  1.0
  Sc  Sc2  1  0.66290277  0.99338174  0.25036164  1.0
  Sc  Sc3  1  0.33215406  0.00137230  0.74890373  1.0
  Al  Al4  1  0.11321586  0.11258795  0.24892874  1.0
  Al  Al5  1  0.88741205  0.88678414  0.75107126  1.0
  Al  Al6  1  0.99189665  0.33181658  0.07464390  1.0
  Al  Al7  1  0.99979349  0.66764775  0.92585353  1.0
  Al  Al8  1  0.00157958  0.66724138  0.57513515  1.0
  Al  Al9  1  0.33275862  0.99842042  0.42486485  1.0
  Al  Al10  1  0.99884957  0.33056346  0.42465727  1.0
  Al  Al11  1  0.66943654  0.00115043  0.57534273  1.0
  Al  Al12  1  0.66818342  0.00810335  0.92535610  1.0
  Al  Al13  1  0.33235225  0.00020651  0.07414647  1.0
  Al  Al14  1  0.33012407  0.32880550  0.54987706  1.0
  Al  Al15  1  0.67119450  0.66987593  0.45012294  1.0
  Al  Al16  1  0.67008011  0.67200987  0.04874932  1.0
  Al  Al17  1  0.32799013  0.32991989  0.95125068  1.0
  Al  Al18  1  0.33849045  0.54967954  0.24916612  1.0
  Al  Al19  1  0.66266190  0.44515463  0.75347315  1.0
  Al  Al20  1  0.55484537  0.33733810  0.24652685  1.0
  Al  Al21  1  0.45032046  0.66150955  0.75083388  1.0
  Ni  Ni22  1  0.67112830  0.32887170  1.00000000  1.0
  Ni  Ni23  1  0.99911815  0.00088185  0.00000000  1.0
  Ni  Ni24  1  0.00078759  0.99921241  0.50000000  1.0
  Ru  Ru25  1  0.32621165  0.67378835  0.00000000  1.0
  Ru  Ru26  1  0.32821107  0.67178893  0.50000000  1.0
  Ru  Ru27  1  0.67305141  0.32694859  0.50000000  1.0