data_[Nd12Rh4I6Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4331]
_cell_length_b [12.8350]
_cell_length_c [8.3473]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1714]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Rh2I3Cl]
_chemical_formula_sum '[Nd12 Rh4 I6 Cl2]'
_cell_volume [760.8627]
_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  8  0.2453  0.1812  0.1902  1
  Nd  Nd1  4  0.2006  0.5000  0.1885  1
  Rh  Rh2  4  0.0000  0.3329  0.0000  1
  I  I3  4  0.0000  0.1616  0.5000  1
  I  I4  2  0.0000  0.5000  0.5000  1
  Cl  Cl5  2  0.0000  0.0000  0.0000  1
]