data_[H144W8C48]
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
]
_symmetry_space_group_name_H-M [Pca2_1]
_cell_length_a [13.5479]
_cell_length_b [6.4837]
_cell_length_c [21.6565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [29]
_chemical_formula_structural [H18WC6]
_chemical_formula_sum '[H144 W8 C48]'
_cell_volume [1902.3202]
_cell_formula_units_Z [8]
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  4  0.0065  0.4207  0.2240  1
  H  H1  4  0.0092  0.0802  0.1254  1
  H  H2  4  0.0211  0.8392  0.0863  1
  H  H3  4  0.0313  0.4115  0.3152  1
  H  H4  4  0.0316  0.1604  0.4275  1
  H  H5  4  0.0480  0.1505  0.2587  1
  H  H6  4  0.0599  0.5144  0.5609  1
  H  H7  4  0.0636  0.6436  0.1910  1
  H  H8  4  0.0638  0.9178  0.3940  1
  H  H9  4  0.0761  0.3989  0.1546  1
  H  H10  4  0.0800  0.5344  0.9531  1
  H  H11  4  0.0847  0.4900  0.4800  1
  H  H12  4  0.0932  0.0211  0.5831  1
  H  H13  4  0.0944  0.6515  0.3238  1
  H  H14  4  0.0953  0.1821  0.8852  1
  H  H15  4  0.0963  0.5489  0.0342  1
  H  H16  4  0.1090  0.2795  0.7309  1
  H  H17  4  0.1311  0.9405  0.9166  1
  H  H18  4  0.1322  0.0132  0.4587  1
  H  H19  4  0.1345  0.4314  0.3659  1
  H  H20  4  0.1356  0.6282  0.7944  1
  H  H21  4  0.1467  0.0277  0.2189  1
  H  H22  4  0.1502  0.6772  0.5253  1
  H  H23  4  0.1518  0.0562  0.3004  1
  H  H24  4  0.1614  0.1436  0.0975  1
  H  H25  4  0.1658  0.6025  0.6692  1
  H  H26  4  0.1695  0.0855  0.7759  1
  H  H27  4  0.1747  0.9259  0.0485  1
  H  H28  4  0.1882  0.0976  0.6940  1
  H  H29  4  0.1907  0.4380  0.9874  1
  H  H30  4  0.1985  0.5055  0.8570  1
  H  H31  4  0.2047  0.1649  0.9310  1
  H  H32  4  0.2188  0.7368  0.1616  1
  H  H33  4  0.2344  0.1644  0.0291  1
  H  H34  4  0.2355  0.4906  0.1258  1
  H  H35  4  0.2437  0.7440  0.8269  1
  W  W36  4  0.0268  0.1636  0.0030  1
  W  W37  4  0.2124  0.4207  0.2478  1
  C  C38  4  0.0120  0.0064  0.5838  1
  C  C39  4  0.0580  0.0040  0.4376  1
  C  C40  4  0.0720  0.4774  0.1996  1
  C  C41  4  0.0785  0.5992  0.5186  1
  C  C42  4  0.1039  0.4831  0.3215  1
  C  C43  4  0.1107  0.4525  0.9934  1
  C  C44  4  0.1285  0.1317  0.2573  1
  C  C45  4  0.1291  0.1074  0.9258  1
  C  C46  4  0.1678  0.0951  0.0489  1
  C  C47  4  0.1779  0.1895  0.7362  1
  C  C48  4  0.2088  0.5968  0.8147  1
  C  C49  4  0.2469  0.5843  0.6667  1
]