data_[Cs5K3]
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 [P4/mmm]
_cell_length_a [5.8158]
_cell_length_b [5.8158]
_cell_length_c [23.6325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Cs5K3]
_chemical_formula_sum '[Cs5 K3]'
_cell_volume [799.3223]
_cell_formula_units_Z [1]
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  2  0.0000  0.0000  0.2378  1.0
  Cs  Cs1  2  0.5000  0.5000  0.3820  1.0
  Cs  Cs2  1  0.0000  0.0000  0.0000  1.0
  K  K3  2  0.5000  0.5000  0.1188  1.0
  K  K4  1  0.0000  0.0000  0.5000  1.0
]