data_[Cs6Al2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.8580]
_cell_length_b [8.0602]
_cell_length_c [13.6467]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6890]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs3AlCl6]
_chemical_formula_sum '[Cs6 Al2 Cl12]'
_cell_volume [710.7168]
_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  4  0.2355  0.5496  0.2491  1.0
  Cs  Cs1  2  0.5000  0.0000  0.5000  1.0
  Al  Al2  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  4  0.1203  0.7423  0.4588  1.0
  Cl  Cl4  4  0.2099  0.1658  0.9662  1.0
  Cl  Cl5  4  0.2742  0.5203  0.7035  1.0
]