data_[Nd2H12S2N2O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.6142]
_cell_length_b [6.9685]
_cell_length_c [9.1105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.3586]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdH6SNO10]
_chemical_formula_sum '[Nd2 H12 S2 N2 O20]'
_cell_volume [419.5540]
_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  2  0.1530  0.2500  0.7916  1
  H  H1  4  0.1910  0.6357  0.4348  1
  H  H2  4  0.4210  0.5828  0.0993  1
  H  H3  4  0.4861  0.0442  0.2343  1
  S  S4  2  0.0073  0.7500  0.8881  1
  N  N5  2  0.3124  0.2500  0.4803  1
  O  O6  4  0.0407  0.5784  0.7963  1
  O  O7  4  0.2672  0.0935  0.5447  1
  O  O8  4  0.4620  0.0454  0.8382  1
  O  O9  2  0.1424  0.7500  0.0246  1
  O  O10  2  0.1496  0.7500  0.3780  1
  O  O11  2  0.2047  0.2500  0.0584  1
  O  O12  2  0.3983  0.2500  0.3612  1
]