data_HfFeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   144.12
_cell_angle_beta   129.5
_cell_angle_gamma   63.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeTc2
_chemical_formula_sum   'Hf1 Fe1 Tc2'
_cell_volume   61.59
_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  Hf1  1  0.0  0.2  0.21  1.0
  Fe  Fe0  1  0.0  0.0  0.33  1.0
  Tc  Tc2  1  0.0  0.0  0.06  1.0
  Tc  Tc3  1  0.59  0.0  0.19  1.0

data_HfFeTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.41
_cell_length_c   5.17
_cell_angle_alpha   115.25
_cell_angle_beta   107.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfFeTc2
_chemical_formula_sum   'Hf1 Fe1 Tc2'
_cell_volume   61.59
_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  0.8  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.33  0.33  1.0
  Tc  Tc2  1  0.0  0.06  0.06  1.0
  Tc  Tc3  1  0.0  0.19  0.59  1.0

Hf Fe Tc Tc
Hf Fe Tc Tc 0 2 o o o 0 1 o o o 1 2 o o o 1 3 - o o 