data_[Ti2Ag4Sn2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  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 [Pmn2_1]
_cell_length_a [8.9751]
_cell_length_b [6.7728]
_cell_length_c [6.5332]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [TiAg2SnS4]
_chemical_formula_sum '[Ti2 Ag4 Sn2 S8]'
_cell_volume [397.1313]
_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
[
  Ti  Ti0  2  0.0000  0.1706  0.0052  1.0
  Ag  Ag1  4  0.2494  0.6924  0.9974  1.0
  Sn  Sn2  2  0.0000  0.7874  0.4765  1.0
  S  S3  4  0.2042  0.3290  0.8857  1.0
  S  S4  2  0.0000  0.1637  0.3636  1.0
  S  S5  2  0.0000  0.8505  0.8885  1.0
]