data_[Fe4Ir2Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  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 [14.9912]
_cell_length_b [7.3065]
_cell_length_c [6.0700]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8529]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2IrCl8]
_chemical_formula_sum '[Fe4 Ir2 Cl16]'
_cell_volume [664.0486]
_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
[
  Fe  Fe0  4  0.1473  0.0000  0.4341  1.0
  Ir  Ir1  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  8  0.0663  0.2235  0.2403  1.0
  Cl  Cl3  4  0.1333  0.0000  0.8028  1.0
  Cl  Cl4  4  0.2125  0.5000  0.6319  1.0
]