# generated using pymatgen
data_Sc4Al18(NiIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.33467978
_cell_length_b   7.33474153
_cell_length_c   9.12161522
_cell_angle_alpha   89.91576137
_cell_angle_beta   89.91579201
_cell_angle_gamma   119.16915962
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Al18(NiIr)3
_chemical_formula_sum   'Sc4 Al18 Ni3 Ir3'
_cell_volume   428.49122479
_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  0.99248167  0.67495009  0.25047745  1.0
  Sc  Sc1  1  0.00304106  0.32064488  0.75011491  1.0
  Sc  Sc2  1  0.67931866  0.99695063  0.24989192  1.0
  Sc  Sc3  1  0.32505610  0.00752834  0.74953315  1.0
  Al  Al4  1  0.13335698  0.13294942  0.24918667  1.0
  Al  Al5  1  0.86700916  0.86660578  0.75081942  1.0
  Al  Al6  1  0.99575811  0.34019903  0.07572145  1.0
  Al  Al7  1  0.00619574  0.66246908  0.92360764  1.0
  Al  Al8  1  0.00750890  0.66215403  0.57686373  1.0
  Al  Al9  1  0.33783323  0.99248888  0.42316069  1.0
  Al  Al10  1  0.00326930  0.33946797  0.42362585  1.0
  Al  Al11  1  0.66052681  0.99672788  0.57638136  1.0
  Al  Al12  1  0.65979447  0.00423272  0.92428349  1.0
  Al  Al13  1  0.33752107  0.99381819  0.07639202  1.0
  Al  Al14  1  0.33267141  0.33401303  0.55486102  1.0
  Al  Al15  1  0.66597239  0.66731712  0.44514105  1.0
  Al  Al16  1  0.66525586  0.66696877  0.05296234  1.0
  Al  Al17  1  0.33303725  0.33475725  0.94704650  1.0
  Al  Al18  1  0.34166821  0.56574166  0.24922727  1.0
  Al  Al19  1  0.65775453  0.44263721  0.75462403  1.0
  Al  Al20  1  0.55735956  0.34223286  0.24535626  1.0
  Al  Al21  1  0.43423745  0.65832438  0.75075837  1.0
  Ni  Ni22  1  0.67146713  0.32863483  0.99996388  1.0
  Ni  Ni23  1  0.32834523  0.67182083  0.99999175  1.0
  Ni  Ni24  1  0.32966519  0.67031704  0.50000906  1.0
  Ir  Ir25  1  0.67285181  0.32713538  0.50000119  1.0
  Ir  Ir26  1  0.99937323  0.00060692  0.99999615  1.0
  Ir  Ir27  1  0.00167047  0.99830879  0.50000237  1.0