# generated using pymatgen
data_Th8Si12PdRu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24726685
_cell_length_b   8.24726830
_cell_length_c   8.41292983
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999417
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th8Si12PdRu3
_chemical_formula_sum   'Th8 Si12 Pd1 Ru3'
_cell_volume   495.56211088
_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  0.49683540  0.50316460  0.75411676  1.0
  Th  Th1  1  0.49700650  0.50299350  0.24583407  1.0
  Th  Th2  1  0.00632719  0.50316460  0.75411676  1.0
  Th  Th3  1  0.00598700  0.50299350  0.24583407  1.0
  Th  Th4  1  0.49683540  0.99367281  0.75411676  1.0
  Th  Th5  1  0.49700650  0.99401300  0.24583407  1.0
  Th  Th6  1  0.00000000  0.00000000  0.74989074  1.0
  Th  Th7  1  0.00000000  0.00000000  0.25010827  1.0
  Si  Si8  1  0.83291248  0.16708752  0.99984346  1.0
  Si  Si9  1  0.16549114  0.83450886  0.00010428  1.0
  Si  Si10  1  0.33417704  0.16708752  0.99984346  1.0
  Si  Si11  1  0.16717327  0.83282673  0.49980168  1.0
  Si  Si12  1  0.66901773  0.83450886  0.00010428  1.0
  Si  Si13  1  0.83558492  0.16441508  0.50009380  1.0
  Si  Si14  1  0.83291248  0.66582296  0.99984346  1.0
  Si  Si15  1  0.66565246  0.83282673  0.49980168  1.0
  Si  Si16  1  0.16549114  0.33098227  0.00010428  1.0
  Si  Si17  1  0.32883217  0.16441508  0.50009380  1.0
  Si  Si18  1  0.16717327  0.33434754  0.49980168  1.0
  Si  Si19  1  0.83558492  0.67116783  0.50009380  1.0
  Pd  Pd20  1  0.66666700  0.33333300  0.50038821  1.0
  Ru  Ru21  1  0.66666700  0.33333300  0.99999451  1.0
  Ru  Ru22  1  0.33333300  0.66666700  0.00023001  1.0
  Ru  Ru23  1  0.33333300  0.66666700  0.50000811  1.0