data_[Tm4Ag4Ge8S24]
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
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.7204]
_cell_length_b [11.6477]
_cell_length_c [6.6344]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TmAg(GeS3)2]
_chemical_formula_sum '[Tm4 Ag4 Ge8 S24]'
_cell_volume [934.8920]
_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  0.1233  0.2500  1.0
  Ag  Ag1  4  0.0000  0.2572  0.7500  1.0
  Ge  Ge2  8  0.1989  0.4244  0.2565  1.0
  S  S3  8  0.1155  0.0660  0.6482  1.0
  S  S4  8  0.1280  0.4303  0.5295  1.0
  S  S5  8  0.1381  0.2540  0.1154  1.0
]