# generated using pymatgen
data_YTh(AlRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.00828745
_cell_length_b   7.04606943
_cell_length_c   8.30218120
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh(AlRu)2
_chemical_formula_sum   'Y2 Th2 Al4 Ru4'
_cell_volume   234.47577745
_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
  Y  Y0  1  0.75000000  0.04036349  0.68589646  1.0
  Y  Y1  1  0.75000000  0.54036349  0.81410354  1.0
  Th  Th2  1  0.25000000  0.96650060  0.32080335  1.0
  Th  Th3  1  0.25000000  0.46650060  0.17919665  1.0
  Al  Al4  1  0.25000000  0.36771719  0.56224013  1.0
  Al  Al5  1  0.25000000  0.86771719  0.93775987  1.0
  Al  Al6  1  0.75000000  0.62773358  0.44981220  1.0
  Al  Al7  1  0.75000000  0.12773358  0.05018780  1.0
  Ru  Ru8  1  0.25000000  0.23812273  0.88033837  1.0
  Ru  Ru9  1  0.25000000  0.73812273  0.61966163  1.0
  Ru  Ru10  1  0.75000000  0.75956441  0.13030455  1.0
  Ru  Ru11  1  0.75000000  0.25956441  0.36969545  1.0