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 [14.0313]
_cell_length_b [3.4821]
_cell_length_c [5.9589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.0757]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TiCrAgS4]
_chemical_formula_sum '[Ti2 Cr2 Ag2 S8]'
_cell_volume [265.8159]
_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  0.7810  1
  Cr  Cr1  2  0.2483  0.0000  0.2305  1
  Ag  Ag2  2  0.0009  0.5000  0.5044  1
  S  S3  2  0.1362  0.5000  0.9787  1
  S  S4  2  0.1491  0.0000  0.4782  1
  S  S5  2  0.3494  0.5000  0.5035  1
  S  S6  2  0.3649  0.0000  0.0238  1
]