data_[Li6La3Ag3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.7287]
_cell_length_b [7.7287]
_cell_length_c [21.6836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2LaAgI6]
_chemical_formula_sum '[Li6 La3 Ag3 I18]'
_cell_volume [1121.6921]
_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  0.0018  1.0
  Li  Li1  3  0.0000  0.0000  0.5260  1.0
  La  La2  3  0.0000  0.0000  0.3289  1.0
  Ag  Ag3  3  0.0000  0.0000  0.7491  1.0
  I  I4  9  0.0257  0.3422  0.5918  1.0
  I  I5  9  0.0284  0.6947  0.0921  1.0
]