# generated using pymatgen
data_Lu3Hf(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45863613
_cell_length_b   7.45125173
_cell_length_c   9.28791378
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.65212916
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3Hf(Al3Ir)6
_chemical_formula_sum   'Lu3 Hf1 Al18 Ir6'
_cell_volume   448.58957956
_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  0.00466485  0.32758136  0.75000000  1.0
  Lu  Lu1  1  0.67142204  0.99515952  0.25000000  1.0
  Lu  Lu2  1  0.32875604  0.00532358  0.75000000  1.0
  Hf  Hf3  1  0.99595701  0.67232190  0.25000000  1.0
  Al  Al4  1  0.12765263  0.12507134  0.25000000  1.0
  Al  Al5  1  0.87107252  0.87033527  0.75000000  1.0
  Al  Al6  1  0.00026138  0.33700129  0.07739374  1.0
  Al  Al7  1  0.99957114  0.66513612  0.92704221  1.0
  Al  Al8  1  0.99957114  0.66513612  0.57295779  1.0
  Al  Al9  1  0.33314061  0.99884447  0.42248221  1.0
  Al  Al10  1  0.00026138  0.33700129  0.42260626  1.0
  Al  Al11  1  0.66478553  0.99866836  0.57488121  1.0
  Al  Al12  1  0.66478553  0.99866836  0.92511879  1.0
  Al  Al13  1  0.33314061  0.99884447  0.07751779  1.0
  Al  Al14  1  0.33349146  0.33356025  0.55173823  1.0
  Al  Al15  1  0.66876168  0.66706382  0.44244738  1.0
  Al  Al16  1  0.66876168  0.66706382  0.05755262  1.0
  Al  Al17  1  0.33349146  0.33356025  0.94826177  1.0
  Al  Al18  1  0.33564804  0.54916480  0.25000000  1.0
  Al  Al19  1  0.66051070  0.45121123  0.75000000  1.0
  Al  Al20  1  0.55380963  0.34334615  0.25000000  1.0
  Al  Al21  1  0.45070558  0.66003500  0.75000000  1.0
  Ir  Ir22  1  0.67301693  0.32771373  0.00097764  1.0
  Ir  Ir23  1  0.32754170  0.67294180  0.00145277  1.0
  Ir  Ir24  1  0.32754170  0.67294180  0.49854723  1.0
  Ir  Ir25  1  0.67301693  0.32771373  0.49902236  1.0
  Ir  Ir26  1  0.99933106  0.99929610  0.00118812  1.0
  Ir  Ir27  1  0.99933106  0.99929610  0.49881188  1.0