data_[Li36Ag18Sn3]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.9624]
_cell_length_b [9.9624]
_cell_length_c [12.0996]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li12Ag6Sn]
_chemical_formula_sum '[Li36 Ag18 Sn3]'
_cell_volume [1039.9964]
_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  0.0339  0.1887  0.8137  1.0
  Li  Li1  18  0.0585  0.8390  0.4133  1.0
  Ag  Ag2  18  0.0139  0.4268  0.7055  1.0
  Sn  Sn3  3  0.0000  0.0000  0.0000  1.0
]