data_[Na3Nd3H6S6O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3_121]
_cell_length_a [6.9077]
_cell_length_b [6.9077]
_cell_length_c [12.7067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [NaNdH2S2O9]
_chemical_formula_sum '[Na3 Nd3 H6 S6 O27]'
_cell_volume [525.0884]
_cell_formula_units_Z [3]
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
[
  Na  Na0  3  0.0000  0.4672  0.6667  1
  Nd  Nd1  3  0.0000  0.4354  0.1667  1
  H  H2  6  0.0433  0.0957  0.8749  1
  S  S3  6  0.0091  0.4497  0.4124  1
  O  O4  6  0.1276  0.6180  0.8446  1
  O  O5  6  0.1318  0.6429  0.3401  1
  O  O6  6  0.1336  0.3869  0.9893  1
  O  O7  6  0.1625  0.4010  0.4736  1
  O  O8  3  0.0000  0.0808  0.1667  1
]