data_[Tm10S14]
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 [Cm]
_cell_length_a [12.6433]
_cell_length_b [3.7584]
_cell_length_c [11.4785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4407]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Tm5S7]
_chemical_formula_sum '[Tm10 S14]'
_cell_volume [528.2053]
_cell_formula_units_Z [2]
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  2  0.0004  0.0000  0.9980  1.0
  Tm  Tm1  2  0.1107  0.0000  0.4199  1.0
  Tm  Tm2  2  0.2011  0.5000  0.8151  1.0
  Tm  Tm3  2  0.3006  0.0000  0.1882  1.0
  Tm  Tm4  2  0.3862  0.5000  0.5773  1.0
  S  S5  2  0.0412  0.0000  0.7830  1.0
  S  S6  2  0.1594  0.5000  0.0506  1.0
  S  S7  2  0.2390  0.5000  0.3508  1.0
  S  S8  2  0.2572  0.0000  0.6459  1.0
  S  S9  2  0.3416  0.0000  0.9490  1.0
  S  S10  2  0.4589  0.5000  0.2128  1.0
  S  S11  2  0.4948  0.0000  0.4934  1.0
]