data_[Ti1Cr1Ag1S4]
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/m]
_cell_length_a [5.9347]
_cell_length_b [3.4885]
_cell_length_c [6.5416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.4692]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [TiCrAgS4]
_chemical_formula_sum '[Ti1 Cr1 Ag1 S4]'
_cell_volume [135.3855]
_cell_formula_units_Z [1]
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  0.5000  0.5000  0.5000  1.0
  Cr  Cr1  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  1  0.0000  0.0000  0.0000  1.0
  S  S3  2  0.1674  0.5000  0.7111  1.0
  S  S4  2  0.3293  0.0000  0.2861  1.0
]