data_[Ti2Cr2Ag2S8]
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 [Cm]
_cell_length_a [13.9969]
_cell_length_b [3.4796]
_cell_length_c [5.9608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TiCrAgS4]
_chemical_formula_sum '[Ti2 Cr2 Ag2 S8]'
_cell_volume [264.8131]
_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  0.2512  0.5000  0.7812  1.0
  Cr  Cr1  2  0.2483  0.0000  0.2309  1.0
  Ag  Ag2  2  0.0009  0.5000  0.5040  1.0
  S  S3  2  0.1359  0.5000  0.9779  1.0
  S  S4  2  0.1490  0.0000  0.4774  1.0
  S  S5  2  0.3495  0.5000  0.5043  1.0
  S  S6  2  0.3652  0.0000  0.0243  1.0
]