# generated using pymatgen
data_Nd5Th3(Si3Pd)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.21580789
_cell_length_b   8.22936817
_cell_length_c   8.55107313
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.81521360
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Th3(Si3Pd)4
_chemical_formula_sum   'Nd5 Th3 Si12 Pd4'
_cell_volume   501.61865777
_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  0.99977677  0.49985002  0.25000000  1.0
  Nd  Nd1  1  0.49983001  0.99975226  0.75000000  1.0
  Nd  Nd2  1  0.50016600  0.00028970  0.25000000  1.0
  Nd  Nd3  1  0.00003310  0.99997943  0.75000000  1.0
  Nd  Nd4  1  0.00002336  0.00003561  0.25000000  1.0
  Th  Th5  1  0.49987371  0.50009353  0.75000000  1.0
  Th  Th6  1  0.50008858  0.49990949  0.25000000  1.0
  Th  Th7  1  0.00023952  0.50012634  0.75000000  1.0
  Si  Si8  1  0.83301401  0.16650358  0.99876517  1.0
  Si  Si9  1  0.16697469  0.83348942  0.99953899  1.0
  Si  Si10  1  0.33168320  0.16531840  0.99982331  1.0
  Si  Si11  1  0.16697469  0.83348942  0.50046101  1.0
  Si  Si12  1  0.66832398  0.83468822  0.00039745  1.0
  Si  Si13  1  0.83301401  0.16650358  0.50123483  1.0
  Si  Si14  1  0.83526727  0.66983366  0.99921848  1.0
  Si  Si15  1  0.66832398  0.83468822  0.49960255  1.0
  Si  Si16  1  0.16472187  0.33014531  0.99973965  1.0
  Si  Si17  1  0.33168320  0.16531840  0.50017669  1.0
  Si  Si18  1  0.16472187  0.33014531  0.50026035  1.0
  Si  Si19  1  0.83526727  0.66983366  0.50078152  1.0
  Pd  Pd20  1  0.66649148  0.33594929  0.99857160  1.0
  Pd  Pd21  1  0.33350948  0.66405442  0.99918493  1.0
  Pd  Pd22  1  0.33350948  0.66405442  0.50081507  1.0
  Pd  Pd23  1  0.66649148  0.33594929  0.50142840  1.0