# generated using pymatgen
data_Th7Zr(AlRu)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.10070659
_cell_length_b   7.24328894
_cell_length_c   16.00702592
_cell_angle_alpha   89.43534815
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th7Zr(AlRu)8
_chemical_formula_sum   'Th7 Zr1 Al8 Ru8'
_cell_volume   475.42724298
_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
  Th  Th0  1  0.75000000  0.96059676  0.21950119  1.0
  Th  Th1  1  0.25000000  0.16786428  0.56450677  1.0
  Th  Th2  1  0.75000000  0.82687932  0.44158953  1.0
  Th  Th3  1  0.75000000  0.45924711  0.28140489  1.0
  Th  Th4  1  0.75000000  0.33617046  0.05904534  1.0
  Th  Th5  1  0.25000000  0.66961322  0.93362721  1.0
  Th  Th6  1  0.25000000  0.04205427  0.77866952  1.0
  Zr  Zr7  1  0.25000000  0.54471650  0.71507564  1.0
  Al  Al8  1  0.75000000  0.49915041  0.57060031  1.0
  Al  Al9  1  0.75000000  0.37715339  0.83845014  1.0
  Al  Al10  1  0.75000000  0.00981559  0.93608125  1.0
  Al  Al11  1  0.75000000  0.84693736  0.65299746  1.0
  Al  Al12  1  0.25000000  0.49463409  0.44064114  1.0
  Al  Al13  1  0.25000000  0.99955629  0.05922584  1.0
  Al  Al14  1  0.25000000  0.63948443  0.14768187  1.0
  Al  Al15  1  0.25000000  0.13646601  0.35434072  1.0
  Ru  Ru16  1  0.75000000  0.74971557  0.81544595  1.0
  Ru  Ru17  1  0.25000000  0.24423537  0.93114959  1.0
  Ru  Ru18  1  0.75000000  0.26248555  0.43914152  1.0
  Ru  Ru19  1  0.25000000  0.75724833  0.31784940  1.0
  Ru  Ru20  1  0.75000000  0.76618391  0.06380981  1.0
  Ru  Ru21  1  0.75000000  0.23272926  0.68452870  1.0
  Ru  Ru22  1  0.25000000  0.25355419  0.18355236  1.0
  Ru  Ru23  1  0.25000000  0.72350633  0.57108386  1.0