# generated using pymatgen
data_TbNd2IrI3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34859419
_cell_length_b   8.94058185
_cell_length_c   12.45347716
_cell_angle_alpha   85.42164564
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TbNd2IrI3
_chemical_formula_sum   'Tb2 Nd4 Ir2 I6'
_cell_volume   482.63330730
_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
  Tb  Tb0  1  0.75000000  0.13150306  0.12483676  1.0
  Tb  Tb1  1  0.25000000  0.86849694  0.87516324  1.0
  Nd  Nd2  1  0.75000000  0.09883465  0.67642677  1.0
  Nd  Nd3  1  0.25000000  0.90116535  0.32357323  1.0
  Nd  Nd4  1  0.25000000  0.26461764  0.89838244  1.0
  Nd  Nd5  1  0.75000000  0.73538236  0.10161756  1.0
  Ir  Ir6  1  0.75000000  0.05405685  0.90467311  1.0
  Ir  Ir7  1  0.25000000  0.94594315  0.09532689  1.0
  I  I8  1  0.25000000  0.41883627  0.13625326  1.0
  I  I9  1  0.75000000  0.58116373  0.86374674  1.0
  I  I10  1  0.25000000  0.36090773  0.63435449  1.0
  I  I11  1  0.75000000  0.63909227  0.36564551  1.0
  I  I12  1  0.75000000  0.15074398  0.38930431  1.0
  I  I13  1  0.25000000  0.84925602  0.61069569  1.0