data_[Li4Al2Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [8.3017]
_cell_length_b [8.3017]
_cell_length_c [4.3764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [136]
_chemical_formula_structural [Li2AlAg6]
_chemical_formula_sum '[Li4 Al2 Ag12]'
_cell_volume [301.6154]
_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
[
  Li  Li0  4  0.1963  0.8037  0.5000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  8  0.0246  0.6716  0.0000  1.0
  Ag  Ag3  4  0.1297  0.1297  0.5000  1.0
]