data_[Nd12Pt2Rh4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pt  2.2800  1.3500  0.8050
  Rh  2.2800  1.3500  0.7450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2921]
_cell_length_b [12.6838]
_cell_length_c [8.4794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6PtRh2I3]
_chemical_formula_sum '[Nd12 Pt2 Rh4 I6]'
_cell_volume [751.4104]
_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  0.2318  0.1696  0.1856  1.0
  Nd  Nd1  4  0.2221  0.5000  0.1853  1.0
  Rh  Rh2  4  0.0000  0.3333  0.0000  1.0
  Pt  Pt3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1665  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]