# generated using pymatgen
data_LuPa3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56314281
_cell_length_b   7.56839195
_cell_length_c   9.30117672
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.49331482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuPa3(Al3Ir)6
_chemical_formula_sum   'Lu1 Pa3 Al18 Ir6'
_cell_volume   463.41410996
_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  0.32784298  0.00532125  0.75000000  1.0
  Pa  Pa1  1  0.99221850  0.67588247  0.25000000  1.0
  Pa  Pa2  1  0.99885722  0.32581009  0.75000000  1.0
  Pa  Pa3  1  0.67847457  0.99687733  0.25000000  1.0
  Al  Al4  1  0.13824790  0.13593178  0.25000000  1.0
  Al  Al5  1  0.87107605  0.87098884  0.75000000  1.0
  Al  Al6  1  0.00512394  0.33713731  0.07555213  1.0
  Al  Al7  1  0.00095703  0.66831110  0.92372793  1.0
  Al  Al8  1  0.00095703  0.66831110  0.57627207  1.0
  Al  Al9  1  0.33675393  0.00318924  0.42912632  1.0
  Al  Al10  1  0.00512394  0.33713731  0.42444787  1.0
  Al  Al11  1  0.65875103  0.99483081  0.57735331  1.0
  Al  Al12  1  0.65875103  0.99483081  0.92264669  1.0
  Al  Al13  1  0.33675393  0.00318924  0.07087368  1.0
  Al  Al14  1  0.33396445  0.33112677  0.55485564  1.0
  Al  Al15  1  0.66229405  0.66203255  0.45591217  1.0
  Al  Al16  1  0.66229405  0.66203255  0.04408783  1.0
  Al  Al17  1  0.33396445  0.33112677  0.94514436  1.0
  Al  Al18  1  0.34445697  0.54992218  0.25000000  1.0
  Al  Al19  1  0.65891452  0.45119865  0.75000000  1.0
  Al  Al20  1  0.54695831  0.34037955  0.25000000  1.0
  Al  Al21  1  0.44871710  0.65766339  0.75000000  1.0
  Ir  Ir22  1  0.67390792  0.32673962  0.99835392  1.0
  Ir  Ir23  1  0.32607168  0.67088680  0.99925915  1.0
  Ir  Ir24  1  0.32607168  0.67088680  0.50074085  1.0
  Ir  Ir25  1  0.67390792  0.32673962  0.50164608  1.0
  Ir  Ir26  1  0.99929240  0.00076003  0.00017901  1.0
  Ir  Ir27  1  0.99929240  0.00076003  0.49982099  1.0