# generated using pymatgen
data_LaPa3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60728068
_cell_length_b   7.59779558
_cell_length_c   9.37190261
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.51246181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPa3(Al3Ir)6
_chemical_formula_sum   'La1 Pa3 Al18 Ir6'
_cell_volume   471.39843001
_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
  La  La0  1  0.32838557  0.00491442  0.75000000  1.0
  Pa  Pa1  1  0.99675540  0.67712862  0.25000000  1.0
  Pa  Pa2  1  0.99972254  0.32392408  0.75000000  1.0
  Pa  Pa3  1  0.67839307  0.99949782  0.25000000  1.0
  Al  Al4  1  0.13503721  0.13678577  0.25000000  1.0
  Al  Al5  1  0.86623777  0.86789127  0.75000000  1.0
  Al  Al6  1  0.00435978  0.33737601  0.07430942  1.0
  Al  Al7  1  0.99629518  0.66371793  0.92779944  1.0
  Al  Al8  1  0.99629518  0.66371793  0.57220056  1.0
  Al  Al9  1  0.33646443  0.00334890  0.42283940  1.0
  Al  Al10  1  0.00435978  0.33737601  0.42569058  1.0
  Al  Al11  1  0.66336209  0.99501840  0.57434017  1.0
  Al  Al12  1  0.66336209  0.99501840  0.92565983  1.0
  Al  Al13  1  0.33646443  0.00334890  0.07716060  1.0
  Al  Al14  1  0.33425292  0.33437939  0.54646214  1.0
  Al  Al15  1  0.66302257  0.66318420  0.45269431  1.0
  Al  Al16  1  0.66302257  0.66318420  0.04730569  1.0
  Al  Al17  1  0.33425292  0.33437939  0.95353786  1.0
  Al  Al18  1  0.34380348  0.55045153  0.25000000  1.0
  Al  Al19  1  0.66254041  0.45457894  0.75000000  1.0
  Al  Al20  1  0.54875572  0.34340782  0.25000000  1.0
  Al  Al21  1  0.44891849  0.65172709  0.75000000  1.0
  Ir  Ir22  1  0.67408688  0.32787408  0.00235196  1.0
  Ir  Ir23  1  0.32766679  0.67150086  0.00219111  1.0
  Ir  Ir24  1  0.32766679  0.67150086  0.49780889  1.0
  Ir  Ir25  1  0.67408688  0.32787408  0.49764804  1.0
  Ir  Ir26  1  0.99621753  0.99844706  0.00388406  1.0
  Ir  Ir27  1  0.99621753  0.99844706  0.49611594  1.0