data_[La12Ir4Ru2Cl6]
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 [19.4503]
_cell_length_b [4.1692]
_cell_length_c [9.0412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Ir2RuCl3]
_chemical_formula_sum '[La12 Ir4 Ru2 Cl6]'
_cell_volume [691.1479]
_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  4  0.0091  0.0000  0.2220  1.0
  La  La1  4  0.1537  0.5000  0.1049  1.0
  La  La2  4  0.1769  0.5000  0.5571  1.0
  Ir  Ir3  4  0.1670  0.0000  0.3336  1.0
  Ru  Ru4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1648  0.0000  0.8323  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]