data_LaHfTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41
_cell_length_b   5.41
_cell_length_c   3.07
_cell_angle_alpha   103.73
_cell_angle_beta   103.73
_cell_angle_gamma   109.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfTc2
_chemical_formula_sum   'La1 Hf1 Tc2'
_cell_volume   77.49
_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
  La  La1  1  0.0  0.0  0.0  1.0
  Hf  Hf0  1  0.14  0.0  0.0  1.0
  Tc  Tc2  1  0.94  0.2  0.4  1.0
  Tc  Tc3  1  0.94  0.8  0.4  1.0

data_LaHfTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.41
_cell_length_c   5.41
_cell_angle_alpha   109.11
_cell_angle_beta   103.73
_cell_angle_gamma   103.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaHfTc2
_chemical_formula_sum   'La1 Hf1 Tc2'
_cell_volume   77.49
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  -0.0  0.14  0.0  1.0
  Tc  Tc2  1  0.4  0.94  0.2  1.0
  Tc  Tc3  1  0.4  0.94  0.8  1.0

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