data_[K3Li6Er3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8500]
_cell_length_b [7.8500]
_cell_length_c [21.5970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KLi2ErI6]
_chemical_formula_sum '[K3 Li6 Er3 I18]'
_cell_volume [1152.5639]
_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
[
  K  K0  3  0.0000  0.0000  0.8101  1
  Li  Li1  3  0.0000  0.0000  0.0053  1
  Li  Li2  3  0.0000  0.0000  0.5118  1
  Er  Er3  3  0.0000  0.0000  0.3251  1
  I  I4  9  0.0054  0.3365  0.2550  1
  I  I5  9  0.0710  0.7292  0.0809  1
]