data_[Cs14K6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [15.6330]
_cell_length_b [15.6330]
_cell_length_c [9.3649]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Cs7K3]
_chemical_formula_sum '[Cs14 K6]'
_cell_volume [1982.0547]
_cell_formula_units_Z [2]
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  6  0.0521  0.5260  0.6810  1.0
  Cs  Cs1  6  0.1218  0.2437  0.9201  1.0
  Cs  Cs2  2  0.3333  0.6667  0.0025  1.0
  K  K3  6  0.2117  0.4233  0.3674  1.0
]