data_[Ca4Zn8Ir4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.5557]
_cell_length_b [9.5759]
_cell_length_c [5.5991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5592]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CaZn2IrO6]
_chemical_formula_sum '[Ca4 Zn8 Ir4 O24]'
_cell_volume [508.9874]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.0000  0.0889  0.7500  1.0
  Zn  Zn1  8  0.1783  0.4064  0.8014  1.0
  Ir  Ir2  4  0.0000  0.2724  0.2500  1.0
  O  O3  8  0.1049  0.2678  0.5625  1.0
  O  O4  8  0.1161  0.1147  0.1361  1.0
  O  O5  8  0.1268  0.4122  0.1382  1.0
]