data_[Hf8Be8]
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
]
_symmetry_space_group_name_H-M [I-43m]
_cell_length_a [8.0298]
_cell_length_b [8.0298]
_cell_length_c [8.0298]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [217]
_chemical_formula_structural [HfBe]
_chemical_formula_sum '[Hf8 Be8]'
_cell_volume [517.7442]
_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  0.1309  0.1309  0.8691  1
  Be  Be1  8  0.1774  0.1774  0.1774  1
]