data_[Ca4Al2Zn6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.4375]
_cell_length_b [4.1716]
_cell_length_c [7.1430]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ca2AlZn3Ir2]
_chemical_formula_sum '[Ca4 Al2 Zn6 Ir4]'
_cell_volume [311.0110]
_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
[
  Ca  Ca0  2  0.0645  0.5000  0.7487  1
  Ca  Ca1  2  0.4360  0.0000  0.2464  1
  Al  Al2  2  0.1652  0.0000  0.4406  1
  Zn  Zn3  2  0.1481  0.0000  0.0554  1
  Zn  Zn4  2  0.3428  0.5000  0.9423  1
  Zn  Zn5  2  0.3518  0.5000  0.5607  1
  Ir  Ir6  2  0.2136  0.5000  0.2570  1
  Ir  Ir7  2  0.2781  0.0000  0.7491  1
]