data_[Ti2Cr4Ag4S12]
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 [C2/m]
_cell_length_a [5.6592]
_cell_length_b [10.0034]
_cell_length_c [7.7170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4455]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TiCr2(AgS3)2]
_chemical_formula_sum '[Ti2 Cr4 Ag4 S12]'
_cell_volume [418.9999]
_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  0.5000  0.5000  1.0
  Cr  Cr1  4  0.0000  0.1326  0.5000  1.0
  Ag  Ag2  4  0.0000  0.3171  0.0000  1.0
  S  S3  8  0.1026  0.3208  0.3237  1.0
  S  S4  4  0.0794  0.0000  0.2905  1.0
]