data_[Li6Er3I3O18]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.2672]
_cell_length_b [5.2672]
_cell_length_c [14.4100]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2ErIO6]
_chemical_formula_sum '[Li6 Er3 I3 O18]'
_cell_volume [346.2284]
_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  0.4509  1.0
  Li  Li1  3  0.0000  0.0000  0.9749  1.0
  Er  Er2  3  0.0000  0.0000  0.1861  1.0
  I  I3  3  0.0000  0.0000  0.6784  1.0
  O  O4  9  0.0203  0.3785  0.4174  1.0
  O  O5  9  0.0457  0.6687  0.2653  1.0
]