data_[Tm16Tl4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9938]
_cell_length_b [13.7207]
_cell_length_c [6.2912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9333]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm4TlPb]
_chemical_formula_sum '[Tm16 Tl4 Pb4]'
_cell_volume [698.1619]
_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  0.1102  0.1888  0.5742  1
  Tm  Tm1  8  0.2001  0.4167  0.8202  1
  Tl  Tl2  4  0.0000  0.0008  0.2500  1
  Pb  Pb3  4  0.0000  0.3801  0.2500  1
]