data_[Li18Ag36Sb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.7300]
_cell_length_b [9.7300]
_cell_length_c [12.2615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6Ag12Sb]
_chemical_formula_sum '[Li18 Ag36 Sb3]'
_cell_volume [1005.3165]
_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  0.0195  0.5873  0.7022  1.0
  Ag  Ag1  18  0.0237  0.8358  0.8108  1.0
  Ag  Ag2  18  0.0632  0.2135  0.4115  1.0
  Sb  Sb3  3  0.0000  0.0000  0.0000  1.0
]