data_[Li6Er3Ag3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.5824]
_cell_length_b [7.5824]
_cell_length_c [21.3347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2ErAgI6]
_chemical_formula_sum '[Li6 Er3 Ag3 I18]'
_cell_volume [1062.2557]
_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  0.4744  1.0
  Li  Li1  3  0.0000  0.0000  0.9990  1.0
  Er  Er2  3  0.0000  0.0000  0.6674  1.0
  Ag  Ag3  3  0.0000  0.0000  0.2525  1.0
  I  I4  9  0.0066  0.3386  0.7395  1.0
  I  I5  9  0.0089  0.6384  0.2421  1.0
]