# generated using pymatgen
data_Sc4Al18(IrPt)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45905207
_cell_length_b   7.45905219
_cell_length_c   9.24139545
_cell_angle_alpha   89.97489660
_cell_angle_beta   89.97490188
_cell_angle_gamma   119.77340856
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Al18(IrPt)3
_chemical_formula_sum   'Sc4 Al18 Ir3 Pt3'
_cell_volume   446.29539178
_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  0.99578922  0.67042742  0.75106367  1.0
  Sc  Sc1  1  0.00505475  0.32989178  0.24892675  1.0
  Sc  Sc2  1  0.67010822  0.99494525  0.75107325  1.0
  Sc  Sc3  1  0.32957258  0.00421078  0.24893633  1.0
  Al  Al4  1  0.12288696  0.12356582  0.75035062  1.0
  Al  Al5  1  0.87643418  0.87711304  0.24964938  1.0
  Al  Al6  1  0.99785333  0.33164575  0.57798614  1.0
  Al  Al7  1  0.00157091  0.66905752  0.42151839  1.0
  Al  Al8  1  0.99904111  0.66515061  0.07655345  1.0
  Al  Al9  1  0.33484939  0.00095889  0.92344655  1.0
  Al  Al10  1  0.99493359  0.33117581  0.92293091  1.0
  Al  Al11  1  0.66882419  0.00506641  0.07706909  1.0
  Al  Al12  1  0.66835425  0.00214667  0.42201386  1.0
  Al  Al13  1  0.33094248  0.99842909  0.57848161  1.0
  Al  Al14  1  0.33124972  0.32783977  0.05979556  1.0
  Al  Al15  1  0.67216023  0.66875028  0.94020444  1.0
  Al  Al16  1  0.67129653  0.67167888  0.56400548  1.0
  Al  Al17  1  0.32832112  0.32870347  0.43599452  1.0
  Al  Al18  1  0.33932240  0.54834657  0.75047372  1.0
  Al  Al19  1  0.66014375  0.44929676  0.24780462  1.0
  Al  Al20  1  0.55070324  0.33985625  0.75219538  1.0
  Al  Al21  1  0.45165343  0.66067760  0.24952628  1.0
  Ir  Ir22  1  0.67210394  0.32789606  1.00000000  1.0
  Ir  Ir23  1  0.99960448  0.00039552  0.50000000  1.0
  Ir  Ir24  1  0.00029298  0.99970702  0.00000000  1.0
  Pt  Pt25  1  0.67203939  0.32796061  0.50000000  1.0
  Pt  Pt26  1  0.32734271  0.67265729  0.50000000  1.0
  Pt  Pt27  1  0.32755293  0.67244707  0.00000000  1.0