data_[K3Na6Nd3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [7.2877]
_cell_length_b [7.2877]
_cell_length_c [19.7672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KNa2NdCl6]
_chemical_formula_sum '[K3 Na6 Nd3 Cl18]'
_cell_volume [909.1915]
_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
[
  K  K0  3  0.0000  0.0000  0.8068  1.0
  Na  Na1  3  0.0000  0.0000  0.0095  1.0
  Na  Na2  3  0.0000  0.0000  0.5196  1.0
  Nd  Nd3  3  0.0000  0.0000  0.3214  1.0
  Cl  Cl4  9  0.0060  0.3480  0.5877  1.0
  Cl  Cl5  9  0.0725  0.7114  0.0803  1.0
]