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 [P2]
_cell_length_a [5.9811]
_cell_length_b [6.9223]
_cell_length_c [6.5689]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.6364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [TiCrAgS4]
_chemical_formula_sum '[Ti2 Cr2 Ag2 S8]'
_cell_volume [271.4190]
_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  1  0.0000  0.4834  0.5000  1.0
  Ti  Ti1  1  0.5000  0.7671  0.5000  1.0
  Cr  Cr2  1  0.0000  0.9977  0.5000  1.0
  Cr  Cr3  1  0.5000  0.2556  0.5000  1.0
  Ag  Ag4  1  0.0000  0.4893  0.0000  1.0
  Ag  Ag5  1  0.0000  0.9906  0.0000  1.0
  S  S6  2  0.1793  0.7528  0.7133  1.0
  S  S7  2  0.1876  0.2453  0.7134  1.0
  S  S8  2  0.3168  0.0082  0.2907  1.0
  S  S9  2  0.3237  0.5019  0.2904  1.0
]