data_[Hf16Ta16Be16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.1316]
_cell_length_b [8.5736]
_cell_length_c [17.6098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [HfTaBe]
_chemical_formula_sum '[Hf16 Ta16 Be16]'
_cell_volume [774.7675]
_cell_formula_units_Z [16]
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  16  0.0000  0.0000  0.4204  1.0
  Ta  Ta1  16  0.0000  0.1746  0.0000  1.0
  Be  Be2  16  0.0000  0.0000  0.1236  1.0
]