data_[Hf16Be24Zn8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.3912]
_cell_length_b [7.8218]
_cell_length_c [13.5588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Hf2Be3Zn]
_chemical_formula_sum '[Hf16 Be24 Zn8]'
_cell_volume [677.8054]
_cell_formula_units_Z [8]
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  0.2446  0.0000  0.0000  1
  Hf  Hf1  8  0.2500  0.2500  0.2500  1
  Be  Be2  16  0.0000  0.2432  0.0810  1
  Be  Be3  8  0.0000  0.0000  0.1623  1
  Zn  Zn4  8  0.0000  0.0000  0.3341  1
]