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 [Pm]
_cell_length_a [11.8073]
_cell_length_b [3.4586]
_cell_length_c [14.1759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7480]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TiCrAgS4]
_chemical_formula_sum '[Ti4 Cr4 Ag4 S16]'
_cell_volume [570.5342]
_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  1  0.1147  0.0000  0.2634  1
  Ti  Ti1  1  0.3880  0.0000  0.7908  1
  Ti  Ti2  1  0.6112  0.5000  0.2483  1
  Ti  Ti3  1  0.9345  0.0000  0.8726  1
  Cr  Cr4  1  0.0270  0.5000  0.0736  1
  Cr  Cr5  1  0.4725  0.5000  0.6154  1
  Cr  Cr6  1  0.5725  0.0000  0.4333  1
  Cr  Cr7  1  0.8471  0.5000  0.6543  1
  Ag  Ag8  1  0.1283  0.0000  0.6444  1
  Ag  Ag9  1  0.3349  0.0000  0.0390  1
  Ag  Ag10  1  0.6467  0.5000  0.0086  1
  Ag  Ag11  1  0.9135  0.5000  0.4211  1
  S  S12  1  0.0125  0.5000  0.7815  1
  S  S13  1  0.1079  0.5000  0.3770  1
  S  S14  1  0.1105  0.0000  0.9900  1
  S  S15  1  0.2088  0.5000  0.1810  1
  S  S16  1  0.2929  0.5000  0.6817  1
  S  S17  1  0.4073  0.0000  0.5081  1
  S  S18  1  0.4262  0.5000  0.9123  1
  S  S19  1  0.4679  0.5000  0.3317  1
  S  S20  1  0.5470  0.0000  0.7286  1
  S  S21  1  0.5526  0.0000  0.1274  1
  S  S22  1  0.6469  0.5000  0.5436  1
  S  S23  1  0.7289  0.0000  0.3380  1
  S  S24  1  0.7817  0.0000  0.7429  1
  S  S25  1  0.8464  0.5000  0.9627  1
  S  S26  1  0.9272  0.0000  0.5674  1
  S  S27  1  0.9444  0.0000  0.1610  1
]