data_[Ru4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ru  2.2000  1.3000  0.6610
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [17.1408]
_cell_length_b [19.9496]
_cell_length_c [6.7027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [RuCl3]
_chemical_formula_sum '[Ru4 Cl12]'
_cell_volume [2292.0040]
_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
[
  Ru  Ru0  4  0.4666  0.0827  0.2500  1
  Cl  Cl1  8  0.4376  0.1548  0.0111  1
  Cl  Cl2  4  0.5000  0.0000  0.0000  1
]