# generated using pymatgen
data_Lu4Al18NiIr5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44296517
_cell_length_b   7.44296585
_cell_length_c   9.29673087
_cell_angle_alpha   89.89653914
_cell_angle_beta   89.89653632
_cell_angle_gamma   119.40149810
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu4Al18NiIr5
_chemical_formula_sum   'Lu4 Al18 Ni1 Ir5'
_cell_volume   448.68116943
_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
  Lu  Lu0  1  0.99760988  0.67633203  0.25026506  1.0
  Lu  Lu1  1  0.00731072  0.32809777  0.75002529  1.0
  Lu  Lu2  1  0.67190223  0.99268928  0.24997471  1.0
  Lu  Lu3  1  0.32366797  0.00239012  0.74973494  1.0
  Al  Al4  1  0.13120162  0.13099627  0.24906736  1.0
  Al  Al5  1  0.86900373  0.86879838  0.75093264  1.0
  Al  Al6  1  0.99473119  0.33596292  0.07494041  1.0
  Al  Al7  1  0.99582891  0.66187181  0.92552761  1.0
  Al  Al8  1  0.99825511  0.66282850  0.57513075  1.0
  Al  Al9  1  0.33717150  0.00174489  0.42486925  1.0
  Al  Al10  1  0.00074216  0.33550143  0.42405744  1.0
  Al  Al11  1  0.66449857  0.99925784  0.57594256  1.0
  Al  Al12  1  0.66403708  0.00526881  0.92505959  1.0
  Al  Al13  1  0.33812819  0.00417109  0.07447239  1.0
  Al  Al14  1  0.33365111  0.33277480  0.55233833  1.0
  Al  Al15  1  0.66722520  0.66634889  0.44766167  1.0
  Al  Al16  1  0.66657991  0.66568246  0.05155623  1.0
  Al  Al17  1  0.33431754  0.33342009  0.94844377  1.0
  Al  Al18  1  0.34078583  0.54858935  0.24917954  1.0
  Al  Al19  1  0.65942593  0.44451469  0.75431396  1.0
  Al  Al20  1  0.55548531  0.34057407  0.24568604  1.0
  Al  Al21  1  0.45141065  0.65921417  0.75082046  1.0
  Ni  Ni22  1  0.67123455  0.32876545  1.00000000  1.0
  Ir  Ir23  1  0.32653123  0.67346877  0.00000000  1.0
  Ir  Ir24  1  0.32797661  0.67202339  0.50000000  1.0
  Ir  Ir25  1  0.67225955  0.32774045  0.50000000  1.0
  Ir  Ir26  1  0.99872913  0.00127087  0.00000000  1.0
  Ir  Ir27  1  0.00029857  0.99970143  0.50000000  1.0