data_[K6Yb6Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Yb  1.1000  1.7500  1.0840
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R32]
_cell_length_a [7.1271]
_cell_length_b [7.1271]
_cell_length_c [21.6464]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [155]
_chemical_formula_structural [KYbCl3]
_chemical_formula_sum '[K6 Yb6 Cl18]'
_cell_volume [952.2341]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.6396  1.0
  Yb  Yb1  6  0.0000  0.0000  0.1627  1.0
  Cl  Cl2  18  0.0090  0.4134  0.4218  1.0
]