data_[Si2Ir4Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [14.5245]
_cell_length_b [2.9514]
_cell_length_c [2.9608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3279]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [SiIr2Cl]
_chemical_formula_sum '[Si2 Ir4 Cl2]'
_cell_volume [126.9218]
_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
[
  Si  Si0  2  0.0633  0.5000  0.5254  1
  Ir  Ir1  2  0.1578  0.0000  0.0311  1
  Ir  Ir2  2  0.4700  0.5000  0.0210  1
  Cl  Cl3  2  0.3090  0.5000  0.9225  1
]