data_[Li2Al6Ag12]
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 [P2_1/m]
_cell_length_a [10.3432]
_cell_length_b [2.9417]
_cell_length_c [11.9693]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Li(AlAg2)3]
_chemical_formula_sum '[Li2 Al6 Ag12]'
_cell_volume [342.7758]
_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  2  0.4194  0.7500  0.3121  1.0
  Al  Al1  2  0.0234  0.7500  0.9064  1.0
  Al  Al2  2  0.1230  0.7500  0.5013  1.0
  Al  Al3  2  0.4923  0.7500  0.1061  1.0
  Ag  Ag4  2  0.1078  0.2500  0.6958  1.0
  Ag  Ag5  2  0.1569  0.7500  0.2788  1.0
  Ag  Ag6  2  0.2531  0.2500  0.1046  1.0
  Ag  Ag7  2  0.2799  0.7500  0.9034  1.0
  Ag  Ag8  2  0.3564  0.2500  0.4857  1.0
  Ag  Ag9  2  0.3603  0.7500  0.6990  1.0
]