data_[Li3Nd3Ag6Cl18]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8512]
_cell_length_b [6.8512]
_cell_length_c [18.6975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [LiNd(AgCl3)2]
_chemical_formula_sum '[Li3 Nd3 Ag6 Cl18]'
_cell_volume [760.0678]
_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  0.0068  1.0
  Nd  Nd1  3  0.0000  0.0000  0.5076  1.0
  Ag  Ag2  3  0.0000  0.0000  0.2111  1.0
  Ag  Ag3  3  0.0000  0.0000  0.7063  1.0
  Cl  Cl4  9  0.0043  0.6421  0.2665  1.0
  Cl  Cl5  9  0.0148  0.3112  0.0958  1.0
]