data_[Zr2Ir2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [5.5892]
_cell_length_b [3.7465]
_cell_length_c [9.1841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3056]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [ZrIrCl2]
_chemical_formula_sum '[Zr2 Ir2 Cl4]'
_cell_volume [187.1516]
_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
[
  Zr  Zr0  2  0.2065  0.0000  0.7217  1
  Ir  Ir1  2  0.0774  0.5000  0.5319  1
  Cl  Cl2  2  0.2559  0.5000  0.3201  1
  Cl  Cl3  2  0.4601  0.5000  0.9263  1
]