data_[Li9Ag9Sn6]
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 [R3m]
_cell_length_a [4.7127]
_cell_length_b [4.7127]
_cell_length_c [22.9623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Li3Ag3Sn2]
_chemical_formula_sum '[Li9 Ag9 Sn6]'
_cell_volume [441.6514]
_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  3  0.0000  0.0000  0.1251  1.0
  Li  Li1  3  0.0000  0.0000  0.2505  1.0
  Li  Li2  3  0.0000  0.0000  0.7493  1.0
  Ag  Ag3  3  0.0000  0.0000  0.0010  1.0
  Ag  Ag4  3  0.0000  0.0000  0.4993  1.0
  Ag  Ag5  3  0.0000  0.0000  0.6248  1.0
  Sn  Sn6  3  0.0000  0.0000  0.3759  1.0
  Sn  Sn7  3  0.0000  0.0000  0.8741  1.0
]