# generated using pymatgen
data_TmHf(Al3Ir)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45375791
_cell_length_b   7.44420253
_cell_length_c   9.24470172
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.70523617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmHf(Al3Ir)3
_chemical_formula_sum   'Tm2 Hf2 Al18 Ir6'
_cell_volume   445.55293365
_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
  Tm  Tm0  1  0.67094652  0.99319292  0.25000000  1.0
  Tm  Tm1  1  0.32905348  0.00680708  0.75000000  1.0
  Hf  Hf2  1  0.99383291  0.67274359  0.25000000  1.0
  Hf  Hf3  1  0.00616709  0.32725641  0.75000000  1.0
  Al  Al4  1  0.12864591  0.12664968  0.25000000  1.0
  Al  Al5  1  0.87135409  0.87335032  0.75000000  1.0
  Al  Al6  1  0.99998741  0.33694491  0.07421862  1.0
  Al  Al7  1  0.00001259  0.66305509  0.92578138  1.0
  Al  Al8  1  0.00001259  0.66305509  0.57421862  1.0
  Al  Al9  1  0.33306240  0.99900707  0.42327041  1.0
  Al  Al10  1  0.99998741  0.33694491  0.42578138  1.0
  Al  Al11  1  0.66693760  0.00099293  0.57672959  1.0
  Al  Al12  1  0.66693760  0.00099293  0.92327041  1.0
  Al  Al13  1  0.33306240  0.99900707  0.07672959  1.0
  Al  Al14  1  0.33179942  0.33379524  0.55593696  1.0
  Al  Al15  1  0.66820058  0.66620476  0.44406304  1.0
  Al  Al16  1  0.66820058  0.66620476  0.05593696  1.0
  Al  Al17  1  0.33179942  0.33379524  0.94406304  1.0
  Al  Al18  1  0.33407300  0.54768296  0.25000000  1.0
  Al  Al19  1  0.66592700  0.45231704  0.75000000  1.0
  Al  Al20  1  0.55380196  0.34436355  0.25000000  1.0
  Al  Al21  1  0.44619804  0.65563645  0.75000000  1.0
  Ir  Ir22  1  0.67278345  0.32743203  0.99955389  1.0
  Ir  Ir23  1  0.32721655  0.67256797  0.00044611  1.0
  Ir  Ir24  1  0.32721655  0.67256797  0.49955389  1.0
  Ir  Ir25  1  0.67278345  0.32743203  0.50044611  1.0
  Ir  Ir26  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir27  1  0.00000000  0.00000000  0.50000000  1.0