data_[Tm4Tl2Cl16]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7641]
_cell_length_b [8.5104]
_cell_length_c [7.1168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.0229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2TlCl8]
_chemical_formula_sum '[Tm4 Tl2 Cl16]'
_cell_volume [639.9210]
_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  0.1828  0.5000  0.4530  1
  Tl  Tl1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  8  0.1396  0.1897  0.3416  1
  Cl  Cl3  4  0.0571  0.5000  0.7343  1
  Cl  Cl4  4  0.2167  0.0000  0.8506  1
]