data_[Tm16Hg12Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Hg  2.0000  1.5000  1.2450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [7.0677]
_cell_length_b [15.8658]
_cell_length_c [8.8581]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm4Hg3Pb2]
_chemical_formula_sum '[Tm16 Hg12 Pb8]'
_cell_volume [993.3057]
_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  0.0000  0.1846  0.9689  1
  Tm  Tm1  8  0.2500  0.0380  0.2500  1
  Hg  Hg2  8  0.2500  0.2258  0.2500  1
  Hg  Hg3  4  0.0000  0.0000  0.0000  1
  Pb  Pb4  8  0.0000  0.1124  0.5740  1
]