data_[Li12Si4Ag2]
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 [Pnnm]
_cell_length_a [7.8440]
_cell_length_b [7.9679]
_cell_length_c [4.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Li6Si2Ag]
_chemical_formula_sum '[Li12 Si4 Ag2]'
_cell_volume [266.4960]
_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  0.0229  0.8180  0.0000  1.0
  Li  Li1  4  0.1701  0.9433  0.5000  1.0
  Li  Li2  4  0.1828  0.6158  0.5000  1.0
  Si  Si3  4  0.1436  0.2854  0.5000  1.0
  Ag  Ag4  2  0.0000  0.5000  0.0000  1.0
]