data_HfTc2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2Ni
_chemical_formula_sum   'Hf1 Tc2 Ni1'
_cell_volume   60.83
_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  0.11  0.0  0.2  1.0
  Tc  Tc2  1  0.11  0.0  0.54  1.0
  Tc  Tc3  1  0.0  0.0  0.09  1.0
  Ni  Ni1  1  0.0  0.0  0.58  1.0

data_HfTc2Ni
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   6.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   HfTc2Ni
_chemical_formula_sum   'Hf1 Tc2 Ni1'
_cell_volume   60.88
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.11  0.0  0.2  1.0
  Tc  Tc1  1  0.0  0.0  0.09  1.0
  Tc  Tc2  1  0.11  0.0  0.54  1.0
  Ni  Ni3  1  0.0  0.0  0.58  1.0

Hf Tc Tc Ni
Hf Tc Tc Ni 0 2 o o o 1 3 o o o 