data_[Sr6Zn18Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3263]
_cell_length_b [9.7116]
_cell_length_c [13.5683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Sr3Zn9Ir2]
_chemical_formula_sum '[Sr6 Zn18 Ir4]'
_cell_volume [570.0761]
_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  4  0.0000  0.0000  0.3041  1.0
  Sr  Sr1  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn2  8  0.0000  0.2828  0.1136  1.0
  Zn  Zn3  8  0.0000  0.3496  0.3414  1.0
  Zn  Zn4  2  0.0000  0.5000  0.0000  1.0
  Ir  Ir5  4  0.0000  0.1921  0.5000  1.0
]