data_[Nd12Rh4S2I6]
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
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3254]
_cell_length_b [12.7141]
_cell_length_c [8.3599]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8558]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Rh2SI3]
_chemical_formula_sum '[Nd12 Rh4 S2 I6]'
_cell_volume [745.1475]
_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  0.2365  0.1734  0.1867  1.0
  Nd  Nd1  4  0.2142  0.5000  0.1854  1.0
  Rh  Rh2  4  0.0000  0.3326  0.0000  1.0
  S  S3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1641  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]