# generated using pymatgen
data_Th3(Al3Ru)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92494459
_cell_length_b   8.92494357
_cell_length_c   9.55494681
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th3(Al3Ru)4
_chemical_formula_sum   'Th6 Al24 Ru8'
_cell_volume   659.12825356
_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
  Th  Th0  1  0.80539809  0.61079619  0.75000000  1.0
  Th  Th1  1  0.19460191  0.80539809  0.25000000  1.0
  Th  Th2  1  0.61079619  0.80539809  0.25000000  1.0
  Th  Th3  1  0.38920381  0.19460191  0.75000000  1.0
  Th  Th4  1  0.80539809  0.19460191  0.75000000  1.0
  Th  Th5  1  0.19460191  0.38920381  0.25000000  1.0
  Al  Al6  1  0.33333300  0.66666700  0.49183032  1.0
  Al  Al7  1  0.66666700  0.33333300  0.99183032  1.0
  Al  Al8  1  0.66666700  0.33333300  0.50816968  1.0
  Al  Al9  1  0.33333300  0.66666700  0.00816968  1.0
  Al  Al10  1  0.16288868  0.32577836  0.57787665  1.0
  Al  Al11  1  0.67422164  0.83711132  0.57787665  1.0
  Al  Al12  1  0.16288868  0.83711132  0.57787665  1.0
  Al  Al13  1  0.83711132  0.16288868  0.07787665  1.0
  Al  Al14  1  0.83711132  0.16288868  0.42212335  1.0
  Al  Al15  1  0.83711132  0.67422164  0.07787665  1.0
  Al  Al16  1  0.32577836  0.16288868  0.07787665  1.0
  Al  Al17  1  0.67422164  0.83711132  0.92212335  1.0
  Al  Al18  1  0.16288868  0.32577836  0.92212335  1.0
  Al  Al19  1  0.83711132  0.67422164  0.42212335  1.0
  Al  Al20  1  0.00000000  0.00000000  0.25000000  1.0
  Al  Al21  1  0.00000000  0.00000000  0.75000000  1.0
  Al  Al22  1  0.56362746  0.12725493  0.25000000  1.0
  Al  Al23  1  0.43637254  0.56362746  0.75000000  1.0
  Al  Al24  1  0.12725493  0.56362746  0.75000000  1.0
  Al  Al25  1  0.87274507  0.43637254  0.25000000  1.0
  Al  Al26  1  0.56362746  0.43637254  0.25000000  1.0
  Al  Al27  1  0.43637254  0.87274507  0.75000000  1.0
  Al  Al28  1  0.16288868  0.83711132  0.92212335  1.0
  Al  Al29  1  0.32577836  0.16288868  0.42212335  1.0
  Ru  Ru30  1  0.00000000  0.00000000  0.50000000  1.0
  Ru  Ru31  1  0.00000000  0.00000000  0.00000000  1.0
  Ru  Ru32  1  0.50000000  0.00000000  0.50000000  1.0
  Ru  Ru33  1  0.50000000  0.50000000  0.00000000  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