data_[Tm4S4Cl4]
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 [C2/m]
_cell_length_a [14.6127]
_cell_length_b [3.9570]
_cell_length_c [6.8963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TmSCl]
_chemical_formula_sum '[Tm4 S4 Cl4]'
_cell_volume [364.8308]
_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  0.2434  0.0000  0.2680  1.0
  S  S1  4  0.1417  0.5000  0.3265  1.0
  Cl  Cl2  4  0.1473  0.0000  0.8310  1.0
]