data_Hf2FeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2FeTc
_chemical_formula_sum   'Hf2 Fe1 Tc1'
_cell_volume   68.4
_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  0.53  0.53  0.09  1.0
  Hf  Hf2  1  0.0  0.0  0.01  1.0
  Fe  Fe0  1  0.0  0.0  0.26  1.0
  Tc  Tc3  1  0.53  0.53  0.01  1.0

data_Hf2FeTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2FeTc
_chemical_formula_sum   'Hf4 Fe2 Tc2'
_cell_volume   136.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.01  1.0
  Hf  Hf1  2  0.03  0.5  0.09  1.0
  Fe  Fe2  2  0.0  0.0  0.26  1.0
  Tc  Tc3  2  0.03  0.5  0.01  1.0

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