data_[Nd2Sb2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [7.7561]
_cell_length_b [13.4528]
_cell_length_c [7.7194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NdSbI6]
_chemical_formula_sum '[Nd2 Sb2 I12]'
_cell_volume [761.3417]
_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  2  0.0000  0.8337  0.0000  1
  Sb  Sb1  2  0.0000  0.1664  0.0000  1
  I  I2  4  0.2274  0.0042  0.2485  1
  I  I3  4  0.2403  0.1727  0.7573  1
  I  I4  4  0.2465  0.3230  0.2433  1
]