data_[Li6Nd3Ag3I18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Ag  1.9300  1.6000  1.0867
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.6723]
_cell_length_b [7.6723]
_cell_length_c [21.5724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Li2NdAgI6]
_chemical_formula_sum '[Li6 Nd3 Ag3 I18]'
_cell_volume [1099.7179]
_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  0.0029  1
  Li  Li1  3  0.0000  0.0000  0.5238  1
  Nd  Nd2  3  0.0000  0.0000  0.3291  1
  Ag  Ag3  3  0.0000  0.0000  0.7501  1
  I  I4  9  0.0198  0.3404  0.5924  1
  I  I5  9  0.0319  0.6945  0.0925  1
]