data_[Si8Bi4H72C24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Bi  2.0200  1.6000  1.0350
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7060]
_cell_length_b [16.8641]
_cell_length_c [11.7966]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8156]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Si2Bi(H3C)6]
_chemical_formula_sum '[Si8 Bi4 H72 C24]'
_cell_volume [1157.5010]
_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
[
  Si  Si0  4  0.1959  0.6599  0.4485  1
  Si  Si1  4  0.4747  0.0338  0.7335  1
  Bi  Bi2  4  0.2750  0.5039  0.5083  1
  H  H3  4  0.0160  0.1845  0.9307  1
  H  H4  4  0.0507  0.1388  0.2955  1
  H  H5  4  0.0829  0.7252  0.0364  1
  H  H6  4  0.1078  0.2311  0.2451  1
  H  H7  4  0.1598  0.1113  0.7370  1
  H  H8  4  0.1600  0.1251  0.5875  1
  H  H9  4  0.1716  0.5680  0.1821  1
  H  H10  4  0.1979  0.5467  0.0424  1
  H  H11  4  0.2010  0.6009  0.7766  1
  H  H12  4  0.2183  0.1419  0.2168  1
  H  H13  4  0.2300  0.5010  0.8299  1
  H  H14  4  0.2767  0.7131  0.6670  1
  H  H15  4  0.3623  0.1765  0.7302  1
  H  H16  4  0.3997  0.6103  0.1669  1
  H  H17  4  0.4001  0.2096  0.9559  1
  H  H18  4  0.4025  0.7267  0.9181  1
  H  H19  4  0.4250  0.5744  0.9356  1
  H  H20  4  0.4883  0.6825  0.3779  1
  C  C21  4  0.0694  0.1682  0.2182  1
  C  C22  4  0.1299  0.7127  0.5671  1
  C  C23  4  0.2712  0.1200  0.6942  1
  C  C24  4  0.2954  0.5565  0.1487  1
  C  C25  4  0.3264  0.5545  0.8332  1
  C  C26  4  0.4452  0.7107  0.4469  1
]