data_[Li12Si4Ag4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Si  1.9000  1.1000  0.5400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9192]
_cell_length_b [7.2924]
_cell_length_c [7.7529]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Li3SiAg]
_chemical_formula_sum '[Li12 Si4 Ag4]'
_cell_volume [334.6551]
_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
[
  Li  Li0  8  0.1072  0.5675  0.8294  1.0
  Li  Li1  4  0.1802  0.7500  0.1768  1.0
  Si  Si2  4  0.2109  0.2500  0.0130  1.0
  Ag  Ag3  4  0.0000  0.0000  0.5000  1.0
]