data_HfTc2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2Se
_chemical_formula_sum   'Hf1 Tc2 Se1'
_cell_volume   68.18
_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  0.0  0.17  1.0
  Tc  Tc2  1  0.63  0.0  0.02  1.0
  Tc  Tc3  1  0.63  0.0  0.32  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_HfTc2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2Se
_chemical_formula_sum   'Hf1 Tc2 Se1'
_cell_volume   68.18
_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  0.0  0.17  1.0
  Tc  Tc1  1  0.63  0.0  0.02  1.0
  Tc  Tc2  1  0.63  0.0  0.32  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

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