data_[Ti4Cr4Ag4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Cr  1.6600  1.4000  0.9400
  Ag  1.9300  1.6000  1.0867
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [6.9199]
_cell_length_b [13.2867]
_cell_length_c [5.9318]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [TiCrAgS4]
_chemical_formula_sum '[Ti4 Cr4 Ag4 S16]'
_cell_volume [545.3802]
_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
[
  Ti  Ti0  4  0.2500  0.2500  0.5000  1
  Cr  Cr1  4  0.0000  0.2490  0.9999  1
  Ag  Ag2  2  0.0000  0.0000  0.3425  1
  Ag  Ag3  2  0.0000  0.5000  0.0254  1
  S  S4  8  0.2471  0.1452  0.1616  1
  S  S5  4  0.0000  0.1455  0.6678  1
  S  S6  4  0.0000  0.3546  0.3323  1
]