data_[Cs3Nd3Ag6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [7.6139]
_cell_length_b [7.6139]
_cell_length_c [19.9255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNd(AgCl3)2]
_chemical_formula_sum '[Cs3 Nd3 Ag6 Cl18]'
_cell_volume [1000.3614]
_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
[
  Cs  Cs0  3  0.0000  0.0000  0.4953  1.0
  Nd  Nd1  3  0.0000  0.0000  0.9973  1.0
  Ag  Ag2  3  0.0000  0.0000  0.2046  1.0
  Ag  Ag3  3  0.0000  0.0000  0.7498  1.0
  Cl  Cl4  9  0.0028  0.6263  0.5985  1.0
  Cl  Cl5  9  0.0987  0.3687  0.7596  1.0
]