data_[Tm4Tl4Cl16]
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/c]
_cell_length_a [16.3471]
_cell_length_b [6.6171]
_cell_length_c [7.3106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2631]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmTlCl4]
_chemical_formula_sum '[Tm4 Tl4 Cl16]'
_cell_volume [766.4137]
_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  4  0.2500  0.2500  0.5000  1.0
  Tl  Tl1  4  0.0000  0.2448  0.7500  1.0
  Cl  Cl2  8  0.1003  0.3925  0.4534  1.0
  Cl  Cl3  8  0.1971  0.0590  0.1723  1.0
]