data_[K6Rb3Nd3Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Nd  1.1400  1.8500  1.2765
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.8528]
_cell_length_b [7.8528]
_cell_length_c [20.6362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [K2RbNdCl6]
_chemical_formula_sum '[K6 Rb3 Nd3 Cl18]'
_cell_volume [1102.0733]
_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
[
  Rb  Rb0  3  0.0000  0.0000  0.1889  1
  K  K1  3  0.0000  0.0000  0.4722  1
  K  K2  3  0.0000  0.0000  0.9821  1
  Nd  Nd3  3  0.0000  0.0000  0.6786  1
  Cl  Cl4  9  0.0006  0.7294  0.5924  1
  Cl  Cl5  9  0.0153  0.3842  0.4132  1
]