data_HfNbTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.4
_cell_angle_alpha   102.84
_cell_angle_beta   102.84
_cell_angle_gamma   40.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbTc2
_chemical_formula_sum   'Hf1 Nb1 Tc2'
_cell_volume   69.65
_cell_formula_units_Z   1
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  0.61  0.0  0.62  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.19  0.0  0.01  1.0
  Tc  Tc3  1  0.02  0.0  0.23  1.0

data_HfNbTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.53
_cell_length_c   5.4
_cell_angle_alpha   102.84
_cell_angle_beta   90.0
_cell_angle_gamma   110.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbTc2
_chemical_formula_sum   'Hf1 Nb1 Tc2'
_cell_volume   69.65
_cell_formula_units_Z   1
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  0.0  0.39  0.38  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.81  0.99  1.0
  Tc  Tc3  1  0.0  0.98  0.77  1.0

Hf Nb Tc Tc
Hf Nb Tc Tc 0 3 o o o 0 3 + o o 0 3 + o + 0 2 o o o 0 2 o o + 0 2 + o + 0 0 + - o 0 1 + o + 0 1 o + + 1 2 o o o 1 3 o o o 