data_[Ti2Ag10S10]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8195]
_cell_length_b [4.6079]
_cell_length_c [7.3365]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4318]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ti(AgS)5]
_chemical_formula_sum '[Ti2 Ag10 S10]'
_cell_volume [452.4405]
_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  0.0000  0.0000  1
  Ag  Ag1  4  0.1750  0.5000  0.4417  1
  Ag  Ag2  4  0.2100  0.5000  0.8634  1
  Ag  Ag3  2  0.0000  0.0000  0.5000  1
  S  S4  4  0.1292  0.0000  0.3127  1
  S  S5  4  0.1329  0.0000  0.8180  1
  S  S6  2  0.0000  0.5000  0.0000  1
]