data_[Nd4S8O32]
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 [C2/c]
_cell_length_a [14.9310]
_cell_length_b [5.5724]
_cell_length_c [9.5971]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.6952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nd(SO4)2]
_chemical_formula_sum '[Nd4 S8 O32]'
_cell_volume [686.6172]
_cell_formula_units_Z [4]
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  0.1636  0.2500  1
  S  S1  8  0.0934  0.2696  0.6582  1
  O  O2  8  0.0185  0.1888  0.9222  1
  O  O3  8  0.1041  0.4897  0.2308  1
  O  O4  8  0.1249  0.2796  0.5348  1
  O  O5  8  0.1555  0.9111  0.2858  1
]