data_[Nd12Pt4Au2I6]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4832]
_cell_length_b [12.9630]
_cell_length_c [8.4460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1272]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Pt2AuI3]
_chemical_formula_sum '[Nd12 Pt4 Au2 I6]'
_cell_volume [782.9694]
_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  0.2356  0.8273  0.1884  1.0
  Nd  Nd1  4  0.2171  0.5000  0.1876  1.0
  Pt  Pt2  4  0.0000  0.3331  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1650  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]