# generated using pymatgen
data_Tm3Al12Ir3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72640920
_cell_length_b   8.72640808
_cell_length_c   9.40352807
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm3Al12Ir3Ru
_chemical_formula_sum   'Tm6 Al24 Ir6 Ru2'
_cell_volume   620.14395477
_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  0.80647284  0.19352716  0.75000000  1.0
  Tm  Tm1  1  0.19352716  0.80647284  0.25000000  1.0
  Tm  Tm2  1  0.38705332  0.19352716  0.75000000  1.0
  Tm  Tm3  1  0.61294668  0.80647284  0.25000000  1.0
  Tm  Tm4  1  0.80647284  0.61294668  0.75000000  1.0
  Tm  Tm5  1  0.19352716  0.38705332  0.25000000  1.0
  Al  Al6  1  0.66666700  0.33333300  0.97215298  1.0
  Al  Al7  1  0.33333300  0.66666700  0.02784702  1.0
  Al  Al8  1  0.33333300  0.66666700  0.47215298  1.0
  Al  Al9  1  0.66666700  0.33333300  0.52784702  1.0
  Al  Al10  1  0.83677953  0.16322047  0.42293216  1.0
  Al  Al11  1  0.16322047  0.83677953  0.57706784  1.0
  Al  Al12  1  0.32644095  0.16322047  0.42293216  1.0
  Al  Al13  1  0.16322047  0.83677953  0.92293216  1.0
  Al  Al14  1  0.67355905  0.83677953  0.57706784  1.0
  Al  Al15  1  0.83677953  0.16322047  0.07706784  1.0
  Al  Al16  1  0.83677953  0.67355905  0.42293216  1.0
  Al  Al17  1  0.67355905  0.83677953  0.92293216  1.0
  Al  Al18  1  0.16322047  0.32644095  0.57706784  1.0
  Al  Al19  1  0.32644095  0.16322047  0.07706784  1.0
  Al  Al20  1  0.16322047  0.32644095  0.92293216  1.0
  Al  Al21  1  0.83677953  0.67355905  0.07706784  1.0
  Al  Al22  1  0.43744044  0.56255956  0.75000000  1.0
  Al  Al23  1  0.56255956  0.43744044  0.25000000  1.0
  Al  Al24  1  0.12511812  0.56255956  0.75000000  1.0
  Al  Al25  1  0.87488188  0.43744044  0.25000000  1.0
  Al  Al26  1  0.43744044  0.87488188  0.75000000  1.0
  Al  Al27  1  0.56255956  0.12511812  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
  Ir  Ir30  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir31  1  0.00000000  0.50000000  0.00000000  1.0
  Ir  Ir32  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir33  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir34  1  0.00000000  0.50000000  0.50000000  1.0
  Ir  Ir35  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru36  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru37  1  0.00000000  0.00000000  0.50000000  1.0