data_[Hf2Zr4In6Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.2945]
_cell_length_b [13.0534]
_cell_length_c [7.5542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HfZr2In3Ir2]
_chemical_formula_sum '[Hf2 Zr4 In6 Ir4]'
_cell_volume [324.8675]
_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
[
  Hf  Hf0  2  0.0000  0.0000  0.4232  1
  Zr  Zr1  4  0.0000  0.2106  0.7891  1
  In  In2  4  0.5000  0.1158  0.1161  1
  In  In3  2  0.5000  0.0000  0.7691  1
  Ir  Ir4  4  0.5000  0.1647  0.4987  1
]