# generated using pymatgen
data_Ho3Th(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.52382787
_cell_length_b   7.53538758
_cell_length_c   9.42363139
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.53553631
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ho3Th(Al3Ir)6
_chemical_formula_sum   'Ho3 Th1 Al18 Ir6'
_cell_volume   464.84375948
_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
  Ho  Ho0  1  0.00353021  0.32843902  0.75000000  1.0
  Ho  Ho1  1  0.67161501  0.99468379  0.25000000  1.0
  Ho  Ho2  1  0.32867100  0.00471534  0.75000000  1.0
  Th  Th3  1  0.99524442  0.67076714  0.25000000  1.0
  Al  Al4  1  0.13228101  0.13453256  0.25000000  1.0
  Al  Al5  1  0.87050241  0.87295008  0.75000000  1.0
  Al  Al6  1  0.00171152  0.33062337  0.07055821  1.0
  Al  Al7  1  0.99886778  0.66475487  0.91938683  1.0
  Al  Al8  1  0.99886778  0.66475487  0.58061317  1.0
  Al  Al9  1  0.33975664  0.00581667  0.42945845  1.0
  Al  Al10  1  0.00171152  0.33062337  0.42944179  1.0
  Al  Al11  1  0.66505896  0.99979816  0.57451446  1.0
  Al  Al12  1  0.66505896  0.99979816  0.92548554  1.0
  Al  Al13  1  0.33975664  0.00581667  0.07054155  1.0
  Al  Al14  1  0.33279957  0.33281283  0.55410275  1.0
  Al  Al15  1  0.66260827  0.66593415  0.45598767  1.0
  Al  Al16  1  0.66260827  0.66593415  0.04401233  1.0
  Al  Al17  1  0.33279957  0.33281283  0.94589725  1.0
  Al  Al18  1  0.34385632  0.54707656  0.25000000  1.0
  Al  Al19  1  0.65880042  0.45028816  0.75000000  1.0
  Al  Al20  1  0.54297547  0.33580598  0.25000000  1.0
  Al  Al21  1  0.45063252  0.66170252  0.75000000  1.0
  Ir  Ir22  1  0.67331930  0.32910694  0.99994787  1.0
  Ir  Ir23  1  0.32648781  0.67186194  0.00008176  1.0
  Ir  Ir24  1  0.32648781  0.67186194  0.49991824  1.0
  Ir  Ir25  1  0.67331930  0.32910694  0.50005213  1.0
  Ir  Ir26  1  0.00033527  0.99881000  0.00017411  1.0
  Ir  Ir27  1  0.00033527  0.99881000  0.49982589  1.0