# generated using pymatgen
data_Tm3Al12FeIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69638334
_cell_length_b   8.69638183
_cell_length_c   9.33931154
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000946
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Al12FeIr3
_chemical_formula_sum   'Tm6 Al24 Fe2 Ir6'
_cell_volume   611.67781397
_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  0.80468168  0.19531832  0.75000000  1.0
  Tm  Tm1  1  0.19531832  0.80468168  0.25000000  1.0
  Tm  Tm2  1  0.39063564  0.19531832  0.75000000  1.0
  Tm  Tm3  1  0.60936436  0.80468168  0.25000000  1.0
  Tm  Tm4  1  0.80468168  0.60936436  0.75000000  1.0
  Tm  Tm5  1  0.19531832  0.39063564  0.25000000  1.0
  Al  Al6  1  0.66666700  0.33333300  0.97576487  1.0
  Al  Al7  1  0.33333300  0.66666700  0.02423513  1.0
  Al  Al8  1  0.33333300  0.66666700  0.47576487  1.0
  Al  Al9  1  0.66666700  0.33333300  0.52423513  1.0
  Al  Al10  1  0.83971718  0.16028282  0.42301341  1.0
  Al  Al11  1  0.16028282  0.83971718  0.57698659  1.0
  Al  Al12  1  0.32056664  0.16028282  0.42301341  1.0
  Al  Al13  1  0.16028282  0.83971718  0.92301341  1.0
  Al  Al14  1  0.67943336  0.83971718  0.57698659  1.0
  Al  Al15  1  0.83971718  0.16028282  0.07698659  1.0
  Al  Al16  1  0.83971718  0.67943336  0.42301341  1.0
  Al  Al17  1  0.67943336  0.83971718  0.92301341  1.0
  Al  Al18  1  0.16028282  0.32056664  0.57698659  1.0
  Al  Al19  1  0.32056664  0.16028282  0.07698659  1.0
  Al  Al20  1  0.16028282  0.32056664  0.92301341  1.0
  Al  Al21  1  0.83971718  0.67943336  0.07698659  1.0
  Al  Al22  1  0.43727896  0.56272104  0.75000000  1.0
  Al  Al23  1  0.56272104  0.43727896  0.25000000  1.0
  Al  Al24  1  0.12544008  0.56272104  0.75000000  1.0
  Al  Al25  1  0.87455992  0.43727896  0.25000000  1.0
  Al  Al26  1  0.43727896  0.87455992  0.75000000  1.0
  Al  Al27  1  0.56272104  0.12544008  0.25000000  1.0
  Al  Al28  1  0.00000000  0.00000000  0.75000000  1.0
  Al  Al29  1  0.00000000  0.00000000  0.25000000  1.0
  Fe  Fe30  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe31  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir32  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir33  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir34  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir35  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir36  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir37  1  0.50000000  0.00000000  0.50000000  1.0