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/c]
_cell_length_a [6.8864]
_cell_length_b [11.4840]
_cell_length_c [6.6968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9217]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tm2S3]
_chemical_formula_sum '[Tm8 S12]'
_cell_volume [497.9125]
_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  0.0878  0.7500  1.0
  Tm  Tm1  4  0.0000  0.2605  0.2500  1.0
  S  S2  8  0.2250  0.0897  0.4975  1.0
  S  S3  4  0.2500  0.2500  0.0000  1.0
]