data_[Tm9Ag12Sn3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.9268]
_cell_length_b [7.9268]
_cell_length_c [18.6423]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Tm3Ag4SnS8]
_chemical_formula_sum '[Tm9 Ag12 Sn3 S24]'
_cell_volume [1014.4492]
_cell_formula_units_Z [3]
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  9  0.0000  0.5000  0.0000  1.0
  Ag  Ag1  9  0.0000  0.5000  0.5000  1.0
  Ag  Ag2  3  -0.0000  -0.0000  0.5000  1.0
  Sn  Sn3  3  -0.0000  -0.0000  0.0000  1.0
  S  S4  18  0.0021  0.5010  0.2532  1.0
  S  S5  6  0.0000  0.0000  0.2550  1.0
]