data_[Tm16Tl4Pb2]
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/m]
_cell_length_a [16.2713]
_cell_length_b [5.2562]
_cell_length_c [8.4713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.2739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm8Tl2Pb]
_chemical_formula_sum '[Tm16 Tl4 Pb2]'
_cell_volume [625.7057]
_cell_formula_units_Z [2]
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  0.0621  0.0000  0.7187  1.0
  Tm  Tm1  4  0.0915  0.5000  0.4574  1.0
  Tm  Tm2  4  0.1427  0.0000  0.1864  1.0
  Tm  Tm3  4  0.1820  0.5000  0.9449  1.0
  Tl  Tl4  4  0.2193  0.0000  0.6173  1.0
  Pb  Pb5  2  0.0000  0.5000  0.0000  1.0
]