# generated using pymatgen
data_Tm3Hf(Al3Ir)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46889064
_cell_length_b   7.46000543
_cell_length_c   9.30640102
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.63452638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Hf(Al3Ir)6
_chemical_formula_sum   'Tm3 Hf1 Al18 Ir6'
_cell_volume   450.70802065
_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
  Tm  Tm0  1  0.00484416  0.32748819  0.75000000  1.0
  Tm  Tm1  1  0.67150135  0.99517897  0.25000000  1.0
  Tm  Tm2  1  0.32869527  0.00541897  0.75000000  1.0
  Hf  Hf3  1  0.99600455  0.67242847  0.25000000  1.0
  Al  Al4  1  0.12783197  0.12517191  0.25000000  1.0
  Al  Al5  1  0.87059591  0.86971086  0.75000000  1.0
  Al  Al6  1  0.00043680  0.33751971  0.07749213  1.0
  Al  Al7  1  0.99931831  0.66507727  0.92776127  1.0
  Al  Al8  1  0.99931831  0.66507727  0.57223873  1.0
  Al  Al9  1  0.33279108  0.99862750  0.42233164  1.0
  Al  Al10  1  0.00043680  0.33751971  0.42250787  1.0
  Al  Al11  1  0.66467180  0.99834363  0.57458455  1.0
  Al  Al12  1  0.66467180  0.99834363  0.92541545  1.0
  Al  Al13  1  0.33279108  0.99862750  0.07766836  1.0
  Al  Al14  1  0.33375437  0.33379800  0.55010484  1.0
  Al  Al15  1  0.66887744  0.66695164  0.44278262  1.0
  Al  Al16  1  0.66887744  0.66695164  0.05721738  1.0
  Al  Al17  1  0.33375437  0.33379800  0.94989516  1.0
  Al  Al18  1  0.33540593  0.54905927  0.25000000  1.0
  Al  Al19  1  0.66059407  0.45159274  0.75000000  1.0
  Al  Al20  1  0.55402329  0.34385957  0.25000000  1.0
  Al  Al21  1  0.45105572  0.65970547  0.75000000  1.0
  Ir  Ir22  1  0.67310585  0.32791039  0.00124076  1.0
  Ir  Ir23  1  0.32751356  0.67291137  0.00162578  1.0
  Ir  Ir24  1  0.32751356  0.67291137  0.49837422  1.0
  Ir  Ir25  1  0.67310585  0.32791039  0.49875924  1.0
  Ir  Ir26  1  0.99925567  0.99904879  0.00145104  1.0
  Ir  Ir27  1  0.99925567  0.99904879  0.49854896  1.0