data_[Hf6Tc4Ge6]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.7437]
_cell_length_b [7.7437]
_cell_length_c [5.2767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Hf3Tc2Ge3]
_chemical_formula_sum '[Hf6 Tc4 Ge6]'
_cell_volume [274.0249]
_cell_formula_units_Z [2]
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  6  0.0000  0.2505  0.2500  1
  Tc  Tc1  4  0.3333  0.6667  0.5000  1
  Ge  Ge2  6  0.0000  0.3958  0.7500  1
]