data_[Cs3Na6Nd3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.3932]
_cell_length_b [7.3932]
_cell_length_c [20.2681]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsNa2NdCl6]
_chemical_formula_sum '[Cs3 Na6 Nd3 Cl18]'
_cell_volume [959.4070]
_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  0.7912  1.0
  Na  Na1  3  0.0000  0.0000  0.0041  1.0
  Na  Na2  3  0.0000  0.0000  0.5202  1.0
  Nd  Nd3  3  0.0000  0.0000  0.3236  1.0
  Cl  Cl4  9  0.0040  0.3367  0.9251  1.0
  Cl  Cl5  9  0.1213  0.7682  0.0819  1.0
]