# generated using pymatgen
data_Nd3Th(AlIr)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.01602639
_cell_length_b   4.30427798
_cell_length_c   8.09444995
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.04315028
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Th(AlIr)4
_chemical_formula_sum   'Nd3 Th1 Al4 Ir4'
_cell_volume   244.44364088
_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  0.96216342  0.25000000  0.17987234  1.0
  Nd  Nd1  1  0.46405649  0.25000000  0.31559734  1.0
  Nd  Nd2  1  0.03589790  0.75000000  0.81993404  1.0
  Th  Th3  1  0.53588443  0.75000000  0.67921524  1.0
  Al  Al4  1  0.87321916  0.25000000  0.55922409  1.0
  Al  Al5  1  0.36230350  0.25000000  0.94221944  1.0
  Al  Al6  1  0.13420890  0.75000000  0.43830066  1.0
  Al  Al7  1  0.63153868  0.75000000  0.06095496  1.0
  Ir  Ir8  1  0.72244747  0.25000000  0.87533006  1.0
  Ir  Ir9  1  0.23802472  0.25000000  0.62228132  1.0
  Ir  Ir10  1  0.26979474  0.75000000  0.11824155  1.0
  Ir  Ir11  1  0.77046162  0.75000000  0.38882896  1.0