data_[Cs2Cl4]
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 [Pm]
_cell_length_a [5.3662]
_cell_length_b [4.7169]
_cell_length_c [10.1271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.0538]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [CsCl2]
_chemical_formula_sum '[Cs2 Cl4]'
_cell_volume [255.6959]
_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  1  0.1974  0.5000  0.7492  1.0
  Cs  Cs1  1  0.8093  0.5000  0.3004  1.0
  Cl  Cl2  1  0.3052  0.0000  0.2222  1.0
  Cl  Cl3  1  0.5044  0.0000  0.0222  1.0
  Cl  Cl4  1  0.6998  0.0000  0.8251  1.0
  Cl  Cl5  1  0.9832  0.0000  0.5302  1.0
]