data_[Li2Ce2Ag2I12]
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 [P4_2nm]
_cell_length_a [7.2789]
_cell_length_b [7.2789]
_cell_length_c [13.2354]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiCeAgI6]
_chemical_formula_sum '[Li2 Ce2 Ag2 I12]'
_cell_volume [701.2415]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.3359  1.0
  Ce  Ce1  2  0.0000  0.0000  0.6680  1.0
  Ag  Ag2  2  0.0000  0.0000  0.9968  1.0
  I  I3  4  0.1988  0.8012  0.4985  1.0
  I  I4  4  0.2023  0.7977  0.1678  1.0
  I  I5  4  0.2049  0.7951  0.8332  1.0
]