data_[Al4Ru2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.4464]
_cell_length_b [8.5181]
_cell_length_c [5.8948]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.2391]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2RuCl8]
_chemical_formula_sum '[Al4 Ru2 Cl16]'
_cell_volume [674.6642]
_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
[
  Al  Al0  4  0.1612  0.0000  0.6138  1.0
  Ru  Ru1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0781  0.1940  0.7628  1.0
  Cl  Cl3  4  0.1507  0.0000  0.2402  1.0
  Cl  Cl4  4  0.1853  0.5000  0.3022  1.0
]