data_[Na3Y3H6S6O27]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Y  1.2200  1.8000  1.0400
  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 [6.7690]
_cell_length_b [6.7690]
_cell_length_c [12.5794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [152]
_chemical_formula_structural [NaYH2S2O9]
_chemical_formula_sum '[Na3 Y3 H6 S6 O27]'
_cell_volume [499.1509]
_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  0.5375  0.6667  1
  Y  Y1  3  0.0000  0.5645  0.1667  1
  H  H2  6  0.0480  0.9493  0.4584  1
  S  S3  6  0.0100  0.5577  0.9245  1
  O  O4  6  0.1313  0.4826  0.9980  1
  O  O5  6  0.1320  0.7478  0.3391  1
  O  O6  6  0.1321  0.5102  0.4860  1
  O  O7  6  0.1685  0.7626  0.8627  1
  O  O8  3  0.0000  0.9148  0.1667  1
]