# generated using pymatgen
data_NdTh2(InIr)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.68860553
_cell_length_b   7.57461841
_cell_length_c   4.02941438
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.51078004
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh2(InIr)3
_chemical_formula_sum   'Nd1 Th2 In3 Ir3'
_cell_volume   204.22119205
_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  0.00000000  0.41106737  0.00000000  1.0
  Th  Th1  1  0.58569321  0.58826027  0.00000000  1.0
  Th  Th2  1  0.41430679  0.00256707  0.00000000  1.0
  In  In3  1  0.00000000  0.73898850  0.50000000  1.0
  In  In4  1  0.23716768  0.24910199  0.50000000  1.0
  In  In5  1  0.76283232  0.01193431  0.50000000  1.0
  Ir  Ir6  1  1.00000000  0.98343653  0.00000000  1.0
  Ir  Ir7  1  0.64212640  0.32838518  0.50000000  1.0
  Ir  Ir8  1  0.35787360  0.68625978  0.50000000  1.0