# generated using pymatgen
data_NdTh(AlIr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35957767
_cell_length_b   6.97923651
_cell_length_c   8.06885353
_cell_angle_alpha   89.93983990
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh(AlIr)2
_chemical_formula_sum   'Nd2 Th2 Al4 Ir4'
_cell_volume   245.50702709
_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  0.96358363  0.68025340  1.0
  Nd  Nd1  1  0.25000000  0.03641637  0.31974660  1.0
  Th  Th2  1  0.25000000  0.53616313  0.18388434  1.0
  Th  Th3  1  0.75000000  0.46383687  0.81611566  1.0
  Al  Al4  1  0.25000000  0.63748079  0.56063257  1.0
  Al  Al5  1  0.75000000  0.36251921  0.43936743  1.0
  Al  Al6  1  0.75000000  0.87113781  0.06062802  1.0
  Al  Al7  1  0.25000000  0.12886219  0.93937198  1.0
  Ir  Ir8  1  0.25000000  0.75962423  0.88630735  1.0
  Ir  Ir9  1  0.75000000  0.24037577  0.11369265  1.0
  Ir  Ir10  1  0.75000000  0.72581575  0.37733521  1.0
  Ir  Ir11  1  0.25000000  0.27418425  0.62266479  1.0