data_[Li12Ga16Ag8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ga  1.8100  1.3000  0.7600
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Cccm]
_cell_length_a [7.8259]
_cell_length_b [13.5933]
_cell_length_c [5.7280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [66]
_chemical_formula_structural [Li3(Ga2Ag)2]
_chemical_formula_sum '[Li12 Ga16 Ag8]'
_cell_volume [609.3391]
_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  0.0000  0.1684  0.2500  1
  Li  Li1  4  0.0000  0.5000  0.2500  1
  Ga  Ga2  8  0.1634  0.0011  0.0000  1
  Ga  Ga3  8  0.1718  0.3336  0.0000  1
  Ag  Ag4  8  0.1607  0.3383  0.5000  1
]