data_[Sr12Ir2Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ir  2.2000  1.3500  0.7650
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [7.0851]
_cell_length_b [7.8356]
_cell_length_c [12.9470]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Sr6IrCl2]
_chemical_formula_sum '[Sr12 Ir2 Cl4]'
_cell_volume [718.7645]
_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
[
  Sr  Sr0  8  0.2292  0.1618  0.3371  1
  Sr  Sr1  4  0.2451  0.2021  0.0000  1
  Ir  Ir2  2  0.0000  0.0000  0.5000  1
  Cl  Cl3  4  0.0000  0.5000  0.3473  1
]