data_[Na3Er3Ag6I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [7.7248]
_cell_length_b [7.7248]
_cell_length_c [21.3148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [NaEr(AgI3)2]
_chemical_formula_sum '[Na3 Er3 Ag6 I18]'
_cell_volume [1101.5172]
_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
[
  Na  Na0  3  0.0000  0.0000  0.1776  1.0
  Er  Er1  3  0.0000  0.0000  0.6712  1.0
  Ag  Ag2  3  0.0000  0.0000  0.4894  1.0
  Ag  Ag3  3  0.0000  0.0000  0.9966  1.0
  I  I4  9  0.0007  0.3395  0.4148  1.0
  I  I5  9  0.0134  0.6473  0.2519  1.0
]