data_[Tm1S8Cl2]
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 [6.3796]
_cell_length_b [7.7676]
_cell_length_c [7.8349]
_cell_angle_alpha [63.0803]
_cell_angle_beta [70.1424]
_cell_angle_gamma [75.3531]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Tm(S4Cl)2]
_chemical_formula_sum '[Tm1 S8 Cl2]'
_cell_volume [323.3160]
_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
  S  S1  2  0.0147  0.8195  0.3955  1
  S  S2  2  0.2133  0.0233  0.2613  1
  S  S3  2  0.4274  0.1641  0.7252  1
  S  S4  2  0.4814  0.4273  0.6612  1
  Cl  Cl5  2  0.2785  0.7273  0.9410  1
]