data_[Tm12Si4Pb8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [12.5781]
_cell_length_b [4.2683]
_cell_length_c [11.7794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Tm3SiPb2]
_chemical_formula_sum '[Tm12 Si4 Pb8]'
_cell_volume [632.4013]
_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  0.0590  0.2500  0.3833  1
  Tm  Tm1  4  0.1126  0.7500  0.9599  1
  Tm  Tm2  4  0.2408  0.7500  0.2267  1
  Si  Si3  4  0.1169  0.2500  0.1302  1
  Pb  Pb4  4  0.0248  0.2500  0.7841  1
  Pb  Pb5  4  0.1880  0.7500  0.5105  1
]