# generated using pymatgen
data_CeTh3(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61735162
_cell_length_b   7.62300616
_cell_length_c   9.46474672
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.48399732
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CeTh3(Al3Ir)6
_chemical_formula_sum   'Ce1 Th3 Al18 Ir6'
_cell_volume   478.41484927
_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
  Ce  Ce0  1  0.32896606  0.00445372  0.75000000  1.0
  Th  Th1  1  0.99511748  0.67168921  0.25000000  1.0
  Th  Th2  1  0.00488192  0.32936841  0.75000000  1.0
  Th  Th3  1  0.67033929  0.99423434  0.25000000  1.0
  Al  Al4  1  0.13494525  0.13357239  0.25000000  1.0
  Al  Al5  1  0.86786119  0.86762417  0.75000000  1.0
  Al  Al6  1  0.00623497  0.33576534  0.07421156  1.0
  Al  Al7  1  0.99691756  0.66713083  0.92458902  1.0
  Al  Al8  1  0.99691756  0.66713083  0.57541098  1.0
  Al  Al9  1  0.33554883  0.00569964  0.43052844  1.0
  Al  Al10  1  0.00623497  0.33576534  0.42578844  1.0
  Al  Al11  1  0.66175358  0.99459237  0.57536779  1.0
  Al  Al12  1  0.66175358  0.99459237  0.92463221  1.0
  Al  Al13  1  0.33554883  0.00569964  0.06947156  1.0
  Al  Al14  1  0.33647448  0.33465815  0.54802409  1.0
  Al  Al15  1  0.66304549  0.66307362  0.45555863  1.0
  Al  Al16  1  0.66304549  0.66307362  0.04444137  1.0
  Al  Al17  1  0.33647448  0.33465815  0.95197591  1.0
  Al  Al18  1  0.34204912  0.54451642  0.25000000  1.0
  Al  Al19  1  0.65721290  0.45206091  0.75000000  1.0
  Al  Al20  1  0.54490715  0.34037415  0.25000000  1.0
  Al  Al21  1  0.45412452  0.65932975  0.75000000  1.0
  Ir  Ir22  1  0.67439451  0.32889287  0.00065084  1.0
  Ir  Ir23  1  0.32731777  0.67155737  0.00069223  1.0
  Ir  Ir24  1  0.32731777  0.67155737  0.49930777  1.0
  Ir  Ir25  1  0.67439451  0.32889287  0.49934916  1.0
  Ir  Ir26  1  0.99810989  0.00001708  0.00092169  1.0
  Ir  Ir27  1  0.99810989  0.00001708  0.49907831  1.0