data_HfNbTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   4.34
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   97.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbTc2
_chemical_formula_sum   'Hf1 Nb1 Tc2'
_cell_volume   67.42
_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  0.09  0.0  0.67  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.04  0.17  0.31  1.0
  Tc  Tc3  1  0.14  0.17  0.03  1.0

data_HfNbTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   4.34
_cell_length_c   5.39
_cell_angle_alpha   90.0
_cell_angle_beta   97.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfNbTc2
_chemical_formula_sum   'Hf1 Nb1 Tc2'
_cell_volume   67.42
_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  0.09  0.0  0.67  1.0
  Nb  Nb1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.04  0.17  0.31  1.0
  Tc  Tc3  1  0.14  0.17  0.03  1.0

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