data_[Li6Ga18Ag36]
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 [R-3]
_cell_length_a [10.0374]
_cell_length_b [10.0374]
_cell_length_c [12.3380]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li(GaAg2)3]
_chemical_formula_sum '[Li6 Ga18 Ag36]'
_cell_volume [1076.5062]
_cell_formula_units_Z [6]
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  3  -0.0000  0.0000  0.5000  1.0
  Li  Li1  3  0.0000  0.0000  0.0000  1.0
  Ga  Ga2  18  0.0573  0.4634  0.5848  1.0
  Ag  Ag3  18  0.0250  0.5727  0.2094  1.0
  Ag  Ag4  18  0.0433  0.8598  0.3049  1.0
]