# generated using pymatgen
data_Nd5Th3(ZnIr)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95729657
_cell_length_b   7.43437241
_cell_length_c   16.51499627
_cell_angle_alpha   90.01817991
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5Th3(ZnIr)8
_chemical_formula_sum   'Nd5 Th3 Zn8 Ir8'
_cell_volume   485.87143758
_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  0.75000000  0.94424546  0.28433427  1.0
  Nd  Nd1  1  0.75000000  0.83088373  0.06177883  1.0
  Nd  Nd2  1  0.75000000  0.44826990  0.21374934  1.0
  Nd  Nd3  1  0.25000000  0.05348256  0.71504788  1.0
  Nd  Nd4  1  0.25000000  0.55178053  0.78592731  1.0
  Th  Th5  1  0.25000000  0.17163252  0.94019702  1.0
  Th  Th6  1  0.25000000  0.67362848  0.56133954  1.0
  Th  Th7  1  0.75000000  0.32635031  0.43845678  1.0
  Zn  Zn8  1  0.75000000  0.00625925  0.56026831  1.0
  Zn  Zn9  1  0.25000000  0.61827227  0.34655583  1.0
  Zn  Zn10  1  0.75000000  0.38198759  0.65256004  1.0
  Zn  Zn11  1  0.25000000  0.50443439  0.05880554  1.0
  Zn  Zn12  1  0.75000000  0.51005192  0.94127038  1.0
  Zn  Zn13  1  0.25000000  0.99368050  0.43933222  1.0
  Zn  Zn14  1  0.25000000  0.11574261  0.15065000  1.0
  Zn  Zn15  1  0.75000000  0.88051238  0.84793667  1.0
  Ir  Ir16  1  0.75000000  0.74523254  0.43933390  1.0
  Ir  Ir17  1  0.25000000  0.24740661  0.31896314  1.0
  Ir  Ir18  1  0.75000000  0.24809656  0.82031253  1.0
  Ir  Ir19  1  0.75000000  0.75009818  0.68022993  1.0
  Ir  Ir20  1  0.25000000  0.25318180  0.56143566  1.0
  Ir  Ir21  1  0.25000000  0.74323274  0.18683892  1.0
  Ir  Ir22  1  0.75000000  0.25187226  0.06090926  1.0
  Ir  Ir23  1  0.25000000  0.74966491  0.93376671  1.0