# generated using pymatgen
data_Tm2IrRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17983158
_cell_length_b   5.17983213
_cell_length_c   8.90357732
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000271
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm2IrRu3
_chemical_formula_sum   'Tm4 Ir2 Ru6'
_cell_volume   206.88379730
_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  0.66666800  0.33333400  0.06977042  1.0
  Tm  Tm1  1  0.66666800  0.33333400  0.43022958  1.0
  Tm  Tm2  1  0.33333300  0.66666600  0.56977142  1.0
  Tm  Tm3  1  0.33333300  0.66666600  0.93022858  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru6  1  0.17125846  0.34251592  0.25000000  1.0
  Ru  Ru7  1  0.17125746  0.82874154  0.25000000  1.0
  Ru  Ru8  1  0.65748308  0.82874154  0.25000000  1.0
  Ru  Ru9  1  0.34251592  0.17125746  0.74999900  1.0
  Ru  Ru10  1  0.82874154  0.17125746  0.74999900  1.0
  Ru  Ru11  1  0.82874254  0.65748408  0.74999900  1.0