data_[K3Na6Sm3Cl18]
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
  Sm  1.1700  1.8500  1.2290
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [7.2581]
_cell_length_b [7.2581]
_cell_length_c [19.7210]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [KNa2SmCl6]
_chemical_formula_sum '[K3 Na6 Sm3 Cl18]'
_cell_volume [899.7114]
_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  0.8073  1.0
  Na  Na1  3  0.0000  0.0000  0.0091  1.0
  Na  Na2  3  0.0000  0.0000  0.5202  1.0
  Sm  Sm3  3  0.0000  0.0000  0.3225  1.0
  Cl  Cl4  9  0.0004  0.3477  0.5878  1.0
  Cl  Cl5  9  0.0722  0.7097  0.0797  1.0
]