# generated using pymatgen
data_Th6Al24NiRu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90138134
_cell_length_b   8.95428473
_cell_length_c   9.51422720
_cell_angle_alpha   90.00000104
_cell_angle_beta   89.87376801
_cell_angle_gamma   120.19679057
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6Al24NiRu7
_chemical_formula_sum   'Th6 Al24 Ni1 Ru7'
_cell_volume   655.43016213
_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  0.80266540  0.61111354  0.74984464  1.0
  Th  Th1  1  0.19733460  0.80844913  0.25015536  1.0
  Th  Th2  1  0.61080037  0.80540069  0.25065540  1.0
  Th  Th3  1  0.38919963  0.19459931  0.74934460  1.0
  Th  Th4  1  0.80266540  0.19155087  0.74984464  1.0
  Th  Th5  1  0.19733460  0.38888646  0.25015536  1.0
  Al  Al6  1  0.33308788  0.66654344  0.49195554  1.0
  Al  Al7  1  0.66812655  0.33406377  0.99012297  1.0
  Al  Al8  1  0.66691212  0.33345656  0.50804446  1.0
  Al  Al9  1  0.33187345  0.66593623  0.00987703  1.0
  Al  Al10  1  0.16118577  0.32524693  0.57776742  1.0
  Al  Al11  1  0.67352022  0.83676011  0.57826628  1.0
  Al  Al12  1  0.16118577  0.83593884  0.57776742  1.0
  Al  Al13  1  0.83667772  0.16170802  0.07808022  1.0
  Al  Al14  1  0.83881423  0.16406116  0.42223258  1.0
  Al  Al15  1  0.83667772  0.67496971  0.07808022  1.0
  Al  Al16  1  0.32739602  0.16369851  0.07851541  1.0
  Al  Al17  1  0.67260398  0.83630149  0.92148459  1.0
  Al  Al18  1  0.16332228  0.32503029  0.92191978  1.0
  Al  Al19  1  0.83881423  0.67475307  0.42223258  1.0
  Al  Al20  1  0.00273643  0.00136822  0.25023718  1.0
  Al  Al21  1  0.99726357  0.99863178  0.74976282  1.0
  Al  Al22  1  0.56581199  0.12891696  0.24921535  1.0
  Al  Al23  1  0.43418801  0.56310497  0.75078465  1.0
  Al  Al24  1  0.12351455  0.56175777  0.75200582  1.0
  Al  Al25  1  0.87648545  0.43824223  0.24799418  1.0
  Al  Al26  1  0.56581199  0.43689503  0.24921535  1.0
  Al  Al27  1  0.43418801  0.87108304  0.75078465  1.0
  Al  Al28  1  0.16332228  0.83829198  0.92191978  1.0
  Al  Al29  1  0.32647978  0.16323989  0.42173372  1.0
  Ni  Ni30  1  0.00000000  0.50000000  0.00000000  1.0
  Ru  Ru31  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru32  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru33  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru34  1  0.50000000  0.50000000  0.00000000  1.0
  Ru  Ru35  1  0.00000000  0.50000000  0.50000000  1.0
  Ru  Ru36  1  0.50000000  0.50000000  0.50000000  1.0
  Ru  Ru37  1  0.50000000  0.00000000  0.00000000  1.0