data_[Li6Ag36Sn18]
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 [12.0722]
_cell_length_b [12.0722]
_cell_length_c [9.4924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li(Ag2Sn)3]
_chemical_formula_sum '[Li6 Ag36 Sn18]'
_cell_volume [1198.0683]
_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  0.0000  1.0
  Li  Li1  3  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  18  0.0176  0.2485  0.0216  1.0
  Ag  Ag3  18  0.0653  0.4948  0.1220  1.0
  Sn  Sn4  18  0.0636  0.1817  0.7443  1.0
]