data_[Tm1Tl1Pb2Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.5441]
_cell_length_b [8.9290]
_cell_length_c [6.8412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.9406]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TmTl(PbCl4)2]
_chemical_formula_sum '[Tm1 Tl1 Pb2 Cl8]'
_cell_volume [399.6929]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  1  0.0000  0.5000  0.0000  1.0
  Pb  Pb2  2  0.5000  0.2489  0.5000  1.0
  Cl  Cl3  4  0.2285  0.2092  0.1582  1.0
  Cl  Cl4  2  0.2408  0.0000  0.6917  1.0
  Cl  Cl5  2  0.2755  0.5000  0.6314  1.0
]