data_[Cs5Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [12.3744]
_cell_length_b [12.3744]
_cell_length_c [18.9718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [Cs5Cl8]
_chemical_formula_sum '[Cs5 Cl8]'
_cell_volume [2515.8439]
_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  3  0.0000  0.5000  0.5562  1
  Cs  Cs1  2  0.3333  0.6667  0.3802  1
  Cl  Cl2  6  0.2119  0.4238  0.4820  1
  Cl  Cl3  2  0.3333  0.6667  0.5896  1
]