data_[Tm4S8]
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 [P2_1/c]
_cell_length_a [7.8174]
_cell_length_b [3.8483]
_cell_length_c [7.7627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1528]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [TmS2]
_chemical_formula_sum '[Tm4 S8]'
_cell_volume [233.5301]
_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  0.2748  0.7138  0.6288  1.0
  S  S1  4  0.0034  0.1662  0.6128  1.0
  S  S2  4  0.3696  0.2390  0.8744  1.0
]