data_[Tm12Sn8Pb4]
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 [C2/c]
_cell_length_a [9.0760]
_cell_length_b [13.9906]
_cell_length_c [5.7415]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm3Sn2Pb]
_chemical_formula_sum '[Tm12 Sn8 Pb4]'
_cell_volume [660.5228]
_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  0.2407  0.0851  0.9938  1.0
  Tm  Tm1  4  0.2500  0.2500  0.5000  1.0
  Sn  Sn2  4  0.0000  0.0847  0.2500  1.0
  Sn  Sn3  4  0.0000  0.2539  0.7500  1.0
  Pb  Pb4  4  0.0000  0.4192  0.2500  1.0
]