data_[Hf4Zn4Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.8931]
_cell_length_b [4.5718]
_cell_length_c [7.5130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5096]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hf2Zn2Ir3]
_chemical_formula_sum '[Hf4 Zn4 Ir6]'
_cell_volume [233.5743]
_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  0.2461  0.5000  0.1642  1
  Zn  Zn1  4  0.1960  0.0000  0.4012  1
  Ir  Ir2  4  0.0414  0.5000  0.7401  1
  Ir  Ir3  2  0.0000  0.0000  0.0000  1
]