# generated using pymatgen
data_Nd3Th(ZnIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98542882
_cell_length_b   7.35997467
_cell_length_c   16.51808436
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Th(ZnIr)4
_chemical_formula_sum   'Nd6 Th2 Zn8 Ir8'
_cell_volume   484.51927313
_cell_formula_units_Z   2
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  0.33063257  0.43741575  1.0
  Nd  Nd1  1  0.75000000  0.94699228  0.28483720  1.0
  Nd  Nd2  1  0.75000000  0.83063257  0.06258425  1.0
  Nd  Nd3  1  0.75000000  0.44699228  0.21516280  1.0
  Nd  Nd4  1  0.25000000  0.05038829  0.71530511  1.0
  Nd  Nd5  1  0.25000000  0.55038829  0.78469489  1.0
  Th  Th6  1  0.25000000  0.16966569  0.94026941  1.0
  Th  Th7  1  0.25000000  0.66966569  0.55973059  1.0
  Zn  Zn8  1  0.75000000  0.01043266  0.55965240  1.0
  Zn  Zn9  1  0.25000000  0.61900439  0.34905147  1.0
  Zn  Zn10  1  0.75000000  0.37866986  0.65173912  1.0
  Zn  Zn11  1  0.25000000  0.50390767  0.05963913  1.0
  Zn  Zn12  1  0.75000000  0.51043266  0.94034760  1.0
  Zn  Zn13  1  0.25000000  0.00390767  0.44036087  1.0
  Zn  Zn14  1  0.25000000  0.11900439  0.15094853  1.0
  Zn  Zn15  1  0.75000000  0.87866986  0.84826088  1.0
  Ir  Ir16  1  0.75000000  0.75224495  0.43981444  1.0
  Ir  Ir17  1  0.25000000  0.24051953  0.31241840  1.0
  Ir  Ir18  1  0.75000000  0.24759455  0.82072668  1.0
  Ir  Ir19  1  0.75000000  0.74759455  0.67927332  1.0
  Ir  Ir20  1  0.25000000  0.24994756  0.56625274  1.0
  Ir  Ir21  1  0.25000000  0.74051953  0.18758160  1.0
  Ir  Ir22  1  0.75000000  0.25224495  0.06018556  1.0
  Ir  Ir23  1  0.25000000  0.74994756  0.93374726  1.0