data_[Li6Ce3Ag3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6523]
_cell_length_b [7.6523]
_cell_length_c [21.1127]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2CeAgI6]
_chemical_formula_sum '[Li6 Ce3 Ag3 I18]'
_cell_volume [1070.6757]
_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  0.0046  1.0
  Li  Li1  3  0.0000  0.0000  0.5116  1.0
  Ce  Ce2  3  0.0000  0.0000  0.3246  1.0
  Ag  Ag3  3  0.0000  0.0000  0.8104  1.0
  I  I4  9  0.0224  0.6833  0.0868  1.0
  I  I5  9  0.0275  0.3471  0.5834  1.0
]