data_[Na18P6H144S6O90]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  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 [R32]
_cell_length_a [9.3371]
_cell_length_b [9.3371]
_cell_length_c [38.3731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [Na3PH24SO15]
_chemical_formula_sum '[Na18 P6 H144 S6 O90]'
_cell_volume [2897.2234]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1518  1
  Na  Na1  6  0.0000  0.0000  0.2346  1
  Na  Na2  6  0.0000  0.0000  0.3765  1
  P  P3  6  0.0000  0.0000  0.5272  1
  H  H4  18  0.0025  0.5931  0.7899  1
  H  H5  18  0.0127  0.8036  0.0905  1
  H  H6  18  0.0145  0.4131  0.8625  1
  H  H7  18  0.0251  0.4831  0.9512  1
  H  H8  18  0.0270  0.4825  0.4620  1
  H  H9  18  0.0296  0.2563  0.4128  1
  H  H10  18  0.0322  0.7474  0.9606  1
  H  H11  18  0.0531  0.5158  0.7095  1
  S  S12  6  0.0000  0.0000  0.3063  1
  O  O13  18  0.0010  0.7854  0.8829  1
  O  O14  18  0.0058  0.8526  0.2897  1
  O  O15  18  0.0104  0.2106  0.8009  1
  O  O16  18  0.0346  0.8255  0.0497  1
  O  O17  18  0.0408  0.2542  0.3877  1
]