data_[Tm1S4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  S  2.5800  1.0000  0.8800
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.6426]
_cell_length_b [6.9668]
_cell_length_c [7.5977]
_cell_angle_alpha [69.2002]
_cell_angle_beta [73.5869]
_cell_angle_gamma [75.7872]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm(S2Cl3)2]
_chemical_formula_sum '[Tm1 S4 Cl6]'
_cell_volume [311.1404]
_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
  S  S1  2  0.3096  0.6480  0.4645  1.0
  S  S2  2  0.4822  0.4086  0.3628  1.0
  Cl  Cl3  2  0.1208  0.6105  0.1779  1.0
  Cl  Cl4  2  0.2124  0.9594  0.6687  1.0
  Cl  Cl5  2  0.3221  0.1119  0.0645  1.0
]