data_[Tm8S12]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7553]
_cell_length_b [11.6790]
_cell_length_c [6.6825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5002]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tm2S3]
_chemical_formula_sum '[Tm8 S12]'
_cell_volume [496.9725]
_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  0.0000  0.3313  0.5000  1.0
  Tm  Tm1  2  0.0000  0.0000  0.5000  1.0
  Tm  Tm2  2  0.0000  0.5000  0.0000  1.0
  S  S3  8  0.2487  0.3389  0.2612  1.0
  S  S4  4  0.2341  0.5000  0.7409  1.0
]