data_[Nd8S8O4]
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 [Cmc2_1]
_cell_length_a [3.9945]
_cell_length_b [15.2394]
_cell_length_c [7.2292]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Nd2S2O]
_chemical_formula_sum '[Nd8 S8 O4]'
_cell_volume [440.0724]
_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  0.1649  0.4835  1
  Nd  Nd1  4  0.0000  0.4474  0.5839  1
  S  S2  4  0.0000  0.0451  0.7795  1
  S  S3  4  0.0000  0.2011  0.1012  1
  O  O4  4  0.0000  0.4063  0.9176  1
]