# generated using pymatgen
data_PrTh7(AlRu)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09074986
_cell_length_b   7.34894239
_cell_length_c   16.16719476
_cell_angle_alpha   89.34576959
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrTh7(AlRu)8
_chemical_formula_sum   'Pr1 Th7 Al8 Ru8'
_cell_volume   485.99759981
_cell_formula_units_Z   1
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
  Pr  Pr0  1  0.25000000  0.54055421  0.71818062  1.0
  Th  Th1  1  0.75000000  0.95696452  0.21863403  1.0
  Th  Th2  1  0.25000000  0.16519971  0.56167006  1.0
  Th  Th3  1  0.75000000  0.82766285  0.43883335  1.0
  Th  Th4  1  0.75000000  0.45587083  0.28104581  1.0
  Th  Th5  1  0.75000000  0.33408204  0.06123965  1.0
  Th  Th6  1  0.25000000  0.67378566  0.93774332  1.0
  Th  Th7  1  0.25000000  0.04229365  0.78153646  1.0
  Al  Al8  1  0.75000000  0.49792767  0.56248911  1.0
  Al  Al9  1  0.75000000  0.36854177  0.84953844  1.0
  Al  Al10  1  0.75000000  0.01051960  0.93945041  1.0
  Al  Al11  1  0.75000000  0.85950979  0.64815098  1.0
  Al  Al12  1  0.25000000  0.49374800  0.43834556  1.0
  Al  Al13  1  0.25000000  0.99930044  0.06091529  1.0
  Al  Al14  1  0.25000000  0.63791811  0.14924864  1.0
  Al  Al15  1  0.25000000  0.13485882  0.35115230  1.0
  Ru  Ru16  1  0.75000000  0.76149586  0.82282422  1.0
  Ru  Ru17  1  0.25000000  0.24478788  0.93638944  1.0
  Ru  Ru18  1  0.75000000  0.26242790  0.43478246  1.0
  Ru  Ru19  1  0.25000000  0.75568441  0.31607666  1.0
  Ru  Ru20  1  0.75000000  0.76734982  0.06604264  1.0
  Ru  Ru21  1  0.75000000  0.22080219  0.68255437  1.0
  Ru  Ru22  1  0.25000000  0.25401949  0.18250433  1.0
  Ru  Ru23  1  0.25000000  0.73469680  0.56064985  1.0