data_[Hf14Zr2Ir10]
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
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.6005]
_cell_length_b [9.4705]
_cell_length_c [9.4020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Hf7ZrIr5]
_chemical_formula_sum '[Hf14 Zr2 Ir10]'
_cell_volume [498.6747]
_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  4  0.0000  0.3125  0.4857  1
  Hf  Hf1  4  0.0000  0.3391  0.0100  1
  Hf  Hf2  2  0.0000  0.0000  0.3477  1
  Hf  Hf3  2  0.0000  0.0000  0.6801  1
  Hf  Hf4  2  0.0000  0.5000  0.7314  1
  Zr  Zr5  2  0.0000  0.0000  0.0098  1
  Ir  Ir6  8  0.2497  0.2439  0.2463  1
  Ir  Ir7  2  0.0000  0.5000  0.2542  1
]