data_[Tm16Sn4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [I-42d]
_cell_length_a [9.2529]
_cell_length_b [9.2529]
_cell_length_c [9.2500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [Tm4SnPb2]
_chemical_formula_sum '[Tm16 Sn4 Pb8]'
_cell_volume [791.9516]
_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  0.0706  0.6799  0.9483  1.0
  Sn  Sn1  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  8  0.1239  0.7500  0.6250  1.0
]