data_[H48W4C8S16N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  W  2.3600  1.3500  0.7667
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.4439]
_cell_length_b [6.9871]
_cell_length_c [15.8077]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [H12WC2(S2N)2]
_chemical_formula_sum '[H48 W4 C8 S16 N8]'
_cell_volume [1043.0798]
_cell_formula_units_Z [4]
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
[
  H  H0  8  0.0230  0.1221  0.7651  1
  H  H1  8  0.1092  0.1300  0.4306  1
  H  H2  8  0.1156  0.6304  0.1054  1
  H  H3  8  0.2328  0.1215  0.2958  1
  H  H4  4  0.0404  0.2500  0.9069  1
  H  H5  4  0.0684  0.2500  0.2885  1
  H  H6  4  0.1398  0.7500  0.2484  1
  H  H7  4  0.2371  0.7500  0.9369  1
  W  W8  4  0.2479  0.2500  0.0519  1
  C  C9  4  0.0368  0.7500  0.2168  1
  C  C10  4  0.1752  0.2500  0.3155  1
  S  S11  8  0.1464  0.0049  0.6038  1
  S  S12  4  0.0214  0.2500  0.0867  1
  S  S13  4  0.2271  0.7500  0.4129  1
  N  N14  4  0.0579  0.7500  0.1241  1
  N  N15  4  0.1634  0.2500  0.4092  1
]