data_[Tl4Ag4Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [C2/m]
_cell_length_a [15.6690]
_cell_length_b [3.9886]
_cell_length_c [7.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4253]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl2Ag2SnS4]
_chemical_formula_sum '[Tl4 Ag4 Sn2 S8]'
_cell_volume [439.3016]
_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
[
  Tl  Tl0  4  0.1491  0.0000  0.5576  1.0
  Ag  Ag1  4  0.1791  0.5000  0.9328  1.0
  Sn  Sn2  2  0.0000  0.0000  0.0000  1.0
  S  S3  4  0.0017  0.5000  0.7738  1.0
  S  S4  4  0.1880  0.0000  0.1839  1.0
]