data_[Li18In36Ag3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.7386]
_cell_length_b [10.7386]
_cell_length_c [12.9898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6In12Ag]
_chemical_formula_sum '[Li18 In36 Ag3]'
_cell_volume [1297.2626]
_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  0.0291  0.4347  0.7046  1.0
  In  In1  18  0.0286  0.1889  0.8222  1.0
  In  In2  18  0.0495  0.8451  0.4081  1.0
  Ag  Ag3  3  0.0000  0.0000  0.0000  1.0
]