data_[Cs2Cl6]
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 [C2/m]
_cell_length_a [10.7615]
_cell_length_b [5.4398]
_cell_length_c [6.1041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1130]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsCl3]
_chemical_formula_sum '[Cs2 Cl6]'
_cell_volume [351.7886]
_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  2  0.0000  0.5000  0.5000  1.0
  Cl  Cl1  4  0.1609  0.0000  0.3052  1.0
  Cl  Cl2  2  0.0000  0.0000  0.0000  1.0
]