data_[Li20Mg8Ag12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.7526]
_cell_length_b [13.0410]
_cell_length_c [5.6363]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5Mg2Ag3]
_chemical_formula_sum '[Li20 Mg8 Ag12]'
_cell_volume [715.2077]
_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  0.1236  0.1455  0.1134  1.0
  Li  Li1  8  0.2428  0.0400  0.5158  1.0
  Li  Li2  4  0.0000  0.4633  0.7500  1.0
  Mg  Mg3  8  0.1255  0.2538  0.6277  1.0
  Ag  Ag4  8  0.1267  0.3481  0.1221  1.0
  Ag  Ag5  4  0.0000  0.0421  0.7500  1.0
]