data_[Tm20Hg8Pb8]
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 [15.6090]
_cell_length_b [8.2629]
_cell_length_c [7.7364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Tm5(HgPb)2]
_chemical_formula_sum '[Tm20 Hg8 Pb8]'
_cell_volume [997.8034]
_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  16  0.1330  0.1745  0.6631  1.0
  Tm  Tm1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  8  0.0000  0.1325  0.3674  1.0
  Pb  Pb3  8  0.2094  0.0000  0.0000  1.0
]