# generated using pymatgen
data_TmTh(AlRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98458505
_cell_length_b   6.99015982
_cell_length_c   8.27138407
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TmTh(AlRu)2
_chemical_formula_sum   'Tm2 Th2 Al4 Ru4'
_cell_volume   230.38192025
_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  0.25000000  0.46282284  0.18279236  1.0
  Tm  Tm1  1  0.75000000  0.03717716  0.68279236  1.0
  Th  Th2  1  0.25000000  0.96636933  0.31777120  1.0
  Th  Th3  1  0.75000000  0.53363067  0.81777120  1.0
  Al  Al4  1  0.75000000  0.62235017  0.44124945  1.0
  Al  Al5  1  0.75000000  0.13917115  0.05205279  1.0
  Al  Al6  1  0.25000000  0.36082885  0.55205279  1.0
  Al  Al7  1  0.25000000  0.87764983  0.94124945  1.0
  Ru  Ru8  1  0.75000000  0.76928542  0.13470804  1.0
  Ru  Ru9  1  0.75000000  0.25352032  0.37142616  1.0
  Ru  Ru10  1  0.25000000  0.24647968  0.87142616  1.0
  Ru  Ru11  1  0.25000000  0.73071458  0.63470804  1.0