# generated using pymatgen
data_Th6Al24CuRu7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92229382
_cell_length_b   8.92229307
_cell_length_c   9.51867910
_cell_angle_alpha   90.05197997
_cell_angle_beta   89.94802112
_cell_angle_gamma   119.64013159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th6Al24CuRu7
_chemical_formula_sum   'Th6 Al24 Cu1 Ru7'
_cell_volume   658.60278023
_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  0.80814888  0.61204886  0.75077059  1.0
  Th  Th1  1  0.19459981  0.80540019  0.25344257  1.0
  Th  Th2  1  0.61204886  0.80814888  0.24922941  1.0
  Th  Th3  1  0.38795114  0.19185112  0.75077059  1.0
  Th  Th4  1  0.80540019  0.19459981  0.74655743  1.0
  Th  Th5  1  0.19185112  0.38795114  0.24922941  1.0
  Al  Al6  1  0.33376522  0.66623478  0.49106618  1.0
  Al  Al7  1  0.66843592  0.33156408  0.98899839  1.0
  Al  Al8  1  0.66623478  0.33376522  0.50893382  1.0
  Al  Al9  1  0.33156408  0.66843592  0.01100161  1.0
  Al  Al10  1  0.16400574  0.32556928  0.57669249  1.0
  Al  Al11  1  0.67443072  0.83599426  0.57669249  1.0
  Al  Al12  1  0.16328354  0.83671646  0.57947560  1.0
  Al  Al13  1  0.83644683  0.16355317  0.07833273  1.0
  Al  Al14  1  0.83671646  0.16328354  0.42052440  1.0
  Al  Al15  1  0.84407610  0.67645279  0.07968011  1.0
  Al  Al16  1  0.32354721  0.15592390  0.07968011  1.0
  Al  Al17  1  0.67645279  0.84407610  0.92031989  1.0
  Al  Al18  1  0.15592390  0.32354721  0.92031989  1.0
  Al  Al19  1  0.83599426  0.67443072  0.42330751  1.0
  Al  Al20  1  0.99876722  0.00123278  0.25043866  1.0
  Al  Al21  1  0.00123278  0.99876722  0.74956134  1.0
  Al  Al22  1  0.56354112  0.12838035  0.24935891  1.0
  Al  Al23  1  0.43669049  0.56330951  0.74824897  1.0
  Al  Al24  1  0.12838035  0.56354112  0.75064109  1.0
  Al  Al25  1  0.87161965  0.43645888  0.24935891  1.0
  Al  Al26  1  0.56330951  0.43669049  0.25175103  1.0
  Al  Al27  1  0.43645888  0.87161965  0.75064109  1.0
  Al  Al28  1  0.16355317  0.83644683  0.92166727  1.0
  Al  Al29  1  0.32556928  0.16400574  0.42330751  1.0
  Cu  Cu30  1  0.50000000  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  0.00000000  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