# generated using pymatgen
data_Sc4Al15(GaIr2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39396799
_cell_length_b   7.40051598
_cell_length_c   9.32569337
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.56192829
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Al15(GaIr2)3
_chemical_formula_sum   'Sc4 Al15 Ga3 Ir6'
_cell_volume   443.86567376
_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  0.00055920  0.67696761  0.25000000  1.0
  Sc  Sc1  1  0.00356406  0.32491200  0.75000000  1.0
  Sc  Sc2  1  0.67060985  0.99294214  0.25000000  1.0
  Sc  Sc3  1  0.32394804  0.00225392  0.75000000  1.0
  Al  Al4  1  0.00034105  0.33507135  0.07466406  1.0
  Al  Al5  1  0.00006642  0.66494214  0.92505051  1.0
  Al  Al6  1  0.00006642  0.66494214  0.57494949  1.0
  Al  Al7  1  0.33556274  0.00180456  0.42533207  1.0
  Al  Al8  1  0.00034105  0.33507135  0.42533594  1.0
  Al  Al9  1  0.66472247  0.00048362  0.57463453  1.0
  Al  Al10  1  0.66472247  0.00048362  0.92536547  1.0
  Al  Al11  1  0.33556274  0.00180456  0.07466793  1.0
  Al  Al12  1  0.33249847  0.33259627  0.56417201  1.0
  Al  Al13  1  0.66708795  0.66688083  0.44125006  1.0
  Al  Al14  1  0.66708795  0.66688083  0.05874994  1.0
  Al  Al15  1  0.33249847  0.33259627  0.93582799  1.0
  Al  Al16  1  0.66319512  0.44647910  0.75000000  1.0
  Al  Al17  1  0.55542687  0.33938826  0.25000000  1.0
  Al  Al18  1  0.44630283  0.66337426  0.75000000  1.0
  Ga  Ga19  1  0.12890639  0.12940846  0.25000000  1.0
  Ga  Ga20  1  0.86709609  0.86721106  0.75000000  1.0
  Ga  Ga21  1  0.33985995  0.54876632  0.25000000  1.0
  Ir  Ir22  1  0.67192119  0.32855171  0.00004764  1.0
  Ir  Ir23  1  0.32784280  0.67305617  0.99872991  1.0
  Ir  Ir24  1  0.32784280  0.67305617  0.50127009  1.0
  Ir  Ir25  1  0.67192119  0.32855171  0.49995236  1.0
  Ir  Ir26  1  0.00022120  0.00076229  0.99976733  1.0
  Ir  Ir27  1  0.00022120  0.00076229  0.50023267  1.0