data_[Hf12Zn8Fe4]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.5810]
_cell_length_b [13.7101]
_cell_length_c [6.5727]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Hf3Zn2Fe]
_chemical_formula_sum '[Hf12 Zn8 Fe4]'
_cell_volume [412.7999]
_cell_formula_units_Z [4]
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  8  0.0000  0.1709  0.2379  1
  Hf  Hf1  4  0.0000  0.5000  0.2422  1
  Zn  Zn2  4  0.0000  0.3364  0.5000  1
  Zn  Zn3  2  0.0000  0.0000  0.0000  1
  Zn  Zn4  2  0.0000  0.0000  0.5000  1
  Fe  Fe5  4  0.0000  0.3357  0.0000  1
]