data_[Nd8S6O8]
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 [Amm2]
_cell_length_a [8.3954]
_cell_length_b [3.9616]
_cell_length_c [12.6841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Nd4S3O4]
_chemical_formula_sum '[Nd8 S6 O8]'
_cell_volume [421.8590]
_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  0.2354  0.0000  0.6897  1.0
  Nd  Nd1  2  0.0000  0.0000  0.9979  1.0
  Nd  Nd2  2  0.5000  0.0000  0.0150  1.0
  S  S3  4  0.3708  0.0000  0.3529  1.0
  S  S4  2  0.0000  0.0000  0.3158  1.0
  O  O5  4  0.2438  0.0000  0.0877  1.0
  O  O6  2  0.0000  0.0000  0.5911  1.0
  O  O7  2  0.5000  0.0000  0.6179  1.0
]