# generated using pymatgen
data_Lu3Pa(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49663516
_cell_length_b   7.50191978
_cell_length_c   9.30714181
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.56086693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu3Pa(Al3Ir)6
_chemical_formula_sum   'Lu3 Pa1 Al18 Ir6'
_cell_volume   455.29255356
_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  0.00420484  0.32803437  0.75000000  1.0
  Lu  Lu1  1  0.67322619  0.99377728  0.25000000  1.0
  Lu  Lu2  1  0.32841865  0.00504598  0.75000000  1.0
  Pa  Pa3  1  0.99584691  0.67206729  0.25000000  1.0
  Al  Al4  1  0.13342987  0.13249227  0.25000000  1.0
  Al  Al5  1  0.87177603  0.87437691  0.75000000  1.0
  Al  Al6  1  0.00090238  0.33146906  0.07331530  1.0
  Al  Al7  1  0.99925997  0.66438448  0.91956788  1.0
  Al  Al8  1  0.99925997  0.66438448  0.58043212  1.0
  Al  Al9  1  0.34024408  0.00495761  0.42643179  1.0
  Al  Al10  1  0.00090238  0.33146906  0.42668470  1.0
  Al  Al11  1  0.66465173  0.00034153  0.57502517  1.0
  Al  Al12  1  0.66465173  0.00034153  0.92497483  1.0
  Al  Al13  1  0.34024408  0.00495761  0.07356821  1.0
  Al  Al14  1  0.33175171  0.33203064  0.55616011  1.0
  Al  Al15  1  0.66267849  0.66580384  0.45142971  1.0
  Al  Al16  1  0.66267849  0.66580384  0.04857029  1.0
  Al  Al17  1  0.33175171  0.33203064  0.94383989  1.0
  Al  Al18  1  0.34061077  0.54708404  0.25000000  1.0
  Al  Al19  1  0.65839398  0.44856491  0.75000000  1.0
  Al  Al20  1  0.54684244  0.34101558  0.25000000  1.0
  Al  Al21  1  0.44944590  0.66140441  0.75000000  1.0
  Ir  Ir22  1  0.67444243  0.32943073  0.00153368  1.0
  Ir  Ir23  1  0.32530379  0.67244840  0.00179206  1.0
  Ir  Ir24  1  0.32530379  0.67244840  0.49820794  1.0
  Ir  Ir25  1  0.67444243  0.32943073  0.49846632  1.0
  Ir  Ir26  1  0.99966713  0.99720267  0.00244547  1.0
  Ir  Ir27  1  0.99966713  0.99720267  0.49755453  1.0