# generated using pymatgen
data_Th4Al4PdRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.32872981
_cell_length_b   6.94878983
_cell_length_c   8.19150937
_cell_angle_alpha   90.20067658
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th4Al4PdRu3
_chemical_formula_sum   'Th4 Al4 Pd1 Ru3'
_cell_volume   246.39445197
_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  0.25000000  0.03696107  0.32621510  1.0
  Th  Th1  1  0.25000000  0.55277330  0.18094187  1.0
  Th  Th2  1  0.75000000  0.95817657  0.68122389  1.0
  Th  Th3  1  0.75000000  0.46332673  0.81221870  1.0
  Al  Al4  1  0.25000000  0.12372654  0.94052696  1.0
  Al  Al5  1  0.25000000  0.62714653  0.55795093  1.0
  Al  Al6  1  0.75000000  0.86799527  0.05736133  1.0
  Al  Al7  1  0.75000000  0.37567924  0.44272540  1.0
  Pd  Pd8  1  0.75000000  0.23993414  0.12021374  1.0
  Ru  Ru9  1  0.25000000  0.25403316  0.62114970  1.0
  Ru  Ru10  1  0.25000000  0.75205191  0.88127687  1.0
  Ru  Ru11  1  0.75000000  0.74819654  0.37819452  1.0