data_[Ca2Zn4Ga2Ir2]
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
  Ga  1.8100  1.3000  0.7600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.0305]
_cell_length_b [4.0870]
_cell_length_c [11.2053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaZn2GaIr]
_chemical_formula_sum '[Ca2 Zn4 Ga2 Ir2]'
_cell_volume [184.5797]
_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  0.0000  0.0000  0.4431  1
  Zn  Zn1  2  0.0000  0.0000  0.0554  1
  Zn  Zn2  2  0.0000  0.5000  0.6907  1
  Ga  Ga3  2  0.0000  0.0000  0.8281  1
  Ir  Ir4  2  0.0000  0.5000  0.1949  1
]