data_[Cs4Cr4Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.0743]
_cell_length_b [6.4574]
_cell_length_c [6.4742]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.6835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsCrCl4]
_chemical_formula_sum '[Cs4 Cr4 Cl16]'
_cell_volume [667.8097]
_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  0.0000  0.2186  0.7500  1.0
  Cr  Cr1  4  0.2500  0.2500  0.5000  1.0
  Cl  Cl2  8  0.1064  0.3104  0.3475  1.0
  Cl  Cl3  8  0.2235  0.0713  0.7945  1.0
]