data_[Cs4K4Na12]
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
  Na  0.9300  1.8000  1.1600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.2710]
_cell_length_b [7.8705]
_cell_length_c [10.8878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.7191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsKNa3]
_chemical_formula_sum '[Cs4 K4 Na12]'
_cell_volume [1133.3688]
_cell_formula_units_Z [4]
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  4  0.3909  0.1191  0.8084  1
  K  K1  4  0.0661  0.6139  0.3297  1
  Na  Na2  4  0.1340  0.1030  0.4844  1
  Na  Na3  4  0.2368  0.5572  0.6525  1
  Na  Na4  4  0.3664  0.6228  0.9609  1
]