data_[La12Ir4Ru2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ir  2.2000  1.3500  0.7650
  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 [7.2850]
_cell_length_b [12.6662]
_cell_length_c [7.7759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir2RuCl2]
_chemical_formula_sum '[La12 Ir4 Ru2 Cl4]'
_cell_volume [682.2537]
_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  0.2327  0.1651  0.7071  1.0
  La  La1  4  0.2410  0.5000  0.7057  1.0
  Ir  Ir2  4  0.0000  0.3310  0.5000  1.0
  Ru  Ru3  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl4  4  0.0000  0.1648  0.0000  1.0
]