data_[La12Ru6Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [7.2149]
_cell_length_b [12.4808]
_cell_length_c [7.9214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9242]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ru3Cl2]
_chemical_formula_sum '[La12 Ru6 Cl4]'
_cell_volume [678.6818]
_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
[
  La  La0  8  0.2321  0.1707  0.2050  1
  La  La1  4  0.2427  0.5000  0.2002  1
  Ru  Ru2  4  0.0000  0.3287  0.0000  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
  Cl  Cl4  4  0.0000  0.1645  0.5000  1
]