data_[Li36La3Ag18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.5362]
_cell_length_b [11.5362]
_cell_length_c [9.7647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Li12LaAg6]
_chemical_formula_sum '[Li36 La3 Ag18]'
_cell_volume [1125.4129]
_cell_formula_units_Z [3]
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  18  0.0000  0.3890  0.5000  1.0
  Li  Li1  18  0.0909  0.1818  0.3490  1.0
  La  La2  3  0.0000  0.0000  0.0000  1.0
  Ag  Ag3  18  0.0081  0.5041  0.2626  1.0
]