# generated using pymatgen
data_Nd5Th3(Si3Ni)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00060438
_cell_length_b   8.02729920
_cell_length_c   8.54874603
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.62526414
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Th3(Si3Ni)4
_chemical_formula_sum   'Nd5 Th3 Si12 Ni4'
_cell_volume   477.25762155
_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
  Nd  Nd0  1  0.99990145  0.49994170  0.25000000  1.0
  Nd  Nd1  1  0.49993765  0.99990450  0.75000000  1.0
  Nd  Nd2  1  0.50006482  0.00010387  0.25000000  1.0
  Nd  Nd3  1  0.00000909  0.00000397  0.75000000  1.0
  Nd  Nd4  1  0.00000586  0.99999946  0.25000000  1.0
  Th  Th5  1  0.49996496  0.50001842  0.75000000  1.0
  Th  Th6  1  0.50002589  0.49997768  0.25000000  1.0
  Th  Th7  1  0.00006226  0.50002834  0.75000000  1.0
  Si  Si8  1  0.82641683  0.17226202  0.99988698  1.0
  Si  Si9  1  0.17357680  0.82772236  0.00002106  1.0
  Si  Si10  1  0.34236938  0.16971799  0.00004136  1.0
  Si  Si11  1  0.17357680  0.82772236  0.49997894  1.0
  Si  Si12  1  0.65763029  0.83028492  0.00015005  1.0
  Si  Si13  1  0.82641683  0.17226202  0.50011302  1.0
  Si  Si14  1  0.83117561  0.66070428  0.00022127  1.0
  Si  Si15  1  0.65763029  0.83028492  0.49984995  1.0
  Si  Si16  1  0.16882976  0.33930664  0.00032620  1.0
  Si  Si17  1  0.34236938  0.16971799  0.49995864  1.0
  Si  Si18  1  0.16882976  0.33930664  0.49967380  1.0
  Si  Si19  1  0.83117561  0.66070428  0.49977873  1.0
  Ni  Ni20  1  0.66624342  0.33862055  0.99666765  1.0
  Ni  Ni21  1  0.33377441  0.66139427  0.99694171  1.0
  Ni  Ni22  1  0.33377441  0.66139427  0.50305829  1.0
  Ni  Ni23  1  0.66624342  0.33862055  0.50333235  1.0