data_[Nd4S2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-42m]
_cell_length_a [4.1863]
_cell_length_b [4.1863]
_cell_length_c [14.7336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [121]
_chemical_formula_structural [Nd2SO6]
_chemical_formula_sum '[Nd4 S2 O12]'
_cell_volume [258.2084]
_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  4  0.0000  0.0000  0.1735  1.0
  S  S1  2  0.0000  0.0000  0.5000  1.0
  O  O2  8  0.2021  0.7979  0.4405  1.0
  O  O3  4  0.0000  0.5000  0.2500  1.0
]