data_[Ti4Al4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.1399]
_cell_length_b [2.8976]
_cell_length_c [4.9805]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.8500]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TiAlAg]
_chemical_formula_sum '[Ti4 Al4 Ag4]'
_cell_volume [202.5986]
_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  2  0.1627  0.5000  0.5769  1.0
  Ti  Ti1  2  0.3096  0.5000  0.9620  1.0
  Al  Al2  2  0.1497  0.0000  0.0733  1.0
  Al  Al3  2  0.3220  0.0000  0.4579  1.0
  Ag  Ag4  2  0.4854  0.5000  0.6882  1.0
  Ag  Ag5  2  0.4870  0.0000  0.1882  1.0
]