data_[Hf2Zn4Ir2]
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 [P2_1/m]
_cell_length_a [5.6203]
_cell_length_b [4.3618]
_cell_length_c [5.6770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.8008]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HfZn2Ir]
_chemical_formula_sum '[Hf2 Zn4 Ir2]'
_cell_volume [129.2185]
_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  0.1225  0.7500  0.3592  1
  Zn  Zn1  2  0.2313  0.7500  0.8965  1
  Zn  Zn2  2  0.3199  0.2500  0.1518  1
  Ir  Ir3  2  0.3579  0.2500  0.6359  1
]