data_[Hf16Tc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [I4_1/a]
_cell_length_a [5.7650]
_cell_length_b [5.7650]
_cell_length_c [12.9087]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [88]
_chemical_formula_structural [Hf4Tc]
_chemical_formula_sum '[Hf16 Tc4]'
_cell_volume [429.0276]
_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  16  0.1333  0.2467  0.8277  1
  Tc  Tc1  4  0.0000  0.0000  0.0000  1
]