data_[Tm16H8Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  H  2.2000  0.2500  0.0000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3841]
_cell_length_b [9.5409]
_cell_length_c [6.4697]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4H2Pb3]
_chemical_formula_sum '[Tm16 H8 Pb12]'
_cell_volume [802.0571]
_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
[
  Tm  Tm0  8  0.1149  0.2311  0.5332  1
  Tm  Tm1  8  0.1960  0.4232  0.0931  1
  H  H2  8  0.2267  0.3666  0.4329  1
  Pb  Pb3  8  0.1099  0.1092  0.0617  1
  Pb  Pb4  4  0.0000  0.4906  0.7500  1
]