data_[Hf2Tc2Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [4.4238]
_cell_length_b [4.4238]
_cell_length_c [5.4443]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [HfTcNi]
_chemical_formula_sum '[Hf2 Tc2 Ni2]'
_cell_volume [92.2692]
_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  1  0.0000  0.0000  0.7578  1
  Hf  Hf1  1  0.3333  0.6667  0.3747  1
  Tc  Tc2  1  0.3333  0.6667  0.8860  1
  Tc  Tc3  1  0.6667  0.3333  0.5711  1
  Ni  Ni4  1  0.0000  0.0000  0.2516  1
  Ni  Ni5  1  0.6667  0.3333  0.0783  1
]