data_[Tm16Ge4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ge  2.0100  1.2500  0.7700
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [13.0696]
_cell_length_b [3.9695]
_cell_length_c [15.1566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm4GePb2]
_chemical_formula_sum '[Tm16 Ge4 Pb8]'
_cell_volume [786.3166]
_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  4  0.0520  0.7500  0.7115  1
  Tm  Tm1  4  0.0634  0.7500  0.1116  1
  Tm  Tm2  4  0.1908  0.2500  0.5369  1
  Tm  Tm3  4  0.2408  0.7500  0.2927  1
  Ge  Ge4  4  0.2255  0.2500  0.1565  1
  Pb  Pb5  4  0.0540  0.7500  0.4198  1
  Pb  Pb6  4  0.1219  0.7500  0.9093  1
]