# generated using pymatgen
data_Ce3Al12Tc3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89012410
_cell_length_b   8.88387996
_cell_length_c   9.60761546
_cell_angle_alpha   89.27488989
_cell_angle_beta   90.36229255
_cell_angle_gamma   119.97677071
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce3Al12Tc3Ir
_chemical_formula_sum   'Ce6 Al24 Tc6 Ir2'
_cell_volume   657.23938208
_cell_formula_units_Z   2
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  0.80791352  0.60955687  0.74420257  1.0
  Ce  Ce1  1  0.19208648  0.80164435  0.24420257  1.0
  Ce  Ce2  1  0.61224359  0.80612229  0.25000000  1.0
  Ce  Ce3  1  0.38775641  0.19387771  0.75000000  1.0
  Ce  Ce4  1  0.80791352  0.19835565  0.75579743  1.0
  Ce  Ce5  1  0.19208648  0.39044313  0.25579743  1.0
  Al  Al6  1  0.33388272  0.66803590  0.49990138  1.0
  Al  Al7  1  0.66611728  0.33415218  0.99990138  1.0
  Al  Al8  1  0.66611728  0.33196410  0.50009862  1.0
  Al  Al9  1  0.33388272  0.66584782  0.00009862  1.0
  Al  Al10  1  0.16136383  0.32266344  0.58019600  1.0
  Al  Al11  1  0.67705322  0.83934620  0.57735702  1.0
  Al  Al12  1  0.16352423  0.83917185  0.57399031  1.0
  Al  Al13  1  0.83863617  0.16130061  0.08019600  1.0
  Al  Al14  1  0.83647577  0.16082815  0.42600969  1.0
  Al  Al15  1  0.83647577  0.67564662  0.07399031  1.0
  Al  Al16  1  0.32294678  0.16229298  0.07735702  1.0
  Al  Al17  1  0.67705322  0.83770702  0.92264298  1.0
  Al  Al18  1  0.16352423  0.32435338  0.92600969  1.0
  Al  Al19  1  0.83863617  0.67733656  0.41980400  1.0
  Al  Al20  1  0.00138289  0.00069144  0.25000000  1.0
  Al  Al21  1  0.99861711  0.99930856  0.75000000  1.0
  Al  Al22  1  0.56041341  0.12371489  0.24984853  1.0
  Al  Al23  1  0.43958659  0.56330147  0.74984853  1.0
  Al  Al24  1  0.12816361  0.56408180  0.75000000  1.0
  Al  Al25  1  0.87183639  0.43591820  0.25000000  1.0
  Al  Al26  1  0.56041341  0.43669853  0.25015147  1.0
  Al  Al27  1  0.43958659  0.87628511  0.75015147  1.0
  Al  Al28  1  0.16136383  0.83869939  0.91980400  1.0
  Al  Al29  1  0.32294678  0.16065380  0.42264298  1.0
  Tc  Tc30  1  0.00000000  0.00000000  0.50000000  1.0
  Tc  Tc31  1  0.00000000  0.00000000  0.00000000  1.0
  Tc  Tc32  1  0.00000000  0.50000000  0.00000000  1.0
  Tc  Tc33  1  0.00000000  0.50000000  0.50000000  1.0
  Tc  Tc34  1  0.50000000  0.50000000  0.50000000  1.0
  Tc  Tc35  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir36  1  0.50000000  0.00000000  0.50000000  1.0
  Ir  Ir37  1  0.50000000  0.50000000  0.00000000  1.0