data_HfCuTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   4.39
_cell_angle_alpha   114.12
_cell_angle_beta   114.12
_cell_angle_gamma   37.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuTc2
_chemical_formula_sum   'Hf1 Cu1 Tc2'
_cell_volume   62.36
_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  0.65  0.0  0.97  1.0
  Cu  Cu0  1  0.9  0.0  0.04  1.0
  Tc  Tc2  1  0.59  0.0  0.91  1.0
  Tc  Tc3  1  0.07  0.0  0.98  1.0

data_HfCuTc2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   4.39
_cell_length_c   5.06
_cell_angle_alpha   114.12
_cell_angle_beta   108.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfCuTc2
_chemical_formula_sum   'Hf1 Cu1 Tc2'
_cell_volume   62.36
_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  0.97  0.65  1.0
  Cu  Cu1  1  0.0  0.04  0.9  1.0
  Tc  Tc2  1  0.0  0.91  0.59  1.0
  Tc  Tc3  1  0.0  0.98  0.07  1.0

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