data_[La12Ni2Ir4Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.4755]
_cell_length_b [4.1769]
_cell_length_c [9.0214]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6NiIr2Cl3]
_chemical_formula_sum '[La12 Ni2 Ir4 Cl6]'
_cell_volume [691.6375]
_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  0.0104  0.0000  0.2230  1.0
  La  La1  4  0.1573  0.5000  0.1082  1.0
  La  La2  4  0.1766  0.5000  0.5557  1.0
  Ni  Ni3  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir4  4  0.1654  0.0000  0.3293  1.0
  Cl  Cl5  4  0.1654  0.0000  0.8332  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]