data_HfTc5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.45
_cell_length_b   6.93
_cell_length_c   6.93
_cell_angle_alpha   25.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc5
_chemical_formula_sum   'Hf1 Tc5'
_cell_volume   93.53
_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  0.23  0.0  0.13  1.0
  Tc  Tc1  1  0.0  0.0  0.8  1.0
  Tc  Tc2  1  0.23  0.0  0.77  1.0
  Tc  Tc3  1  0.0  0.0  0.36  1.0
  Tc  Tc4  1  0.23  0.0  0.11  1.0
  Tc  Tc5  1  0.0  0.0  0.82  1.0

data_HfTc5
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.45
_cell_length_c   6.93
_cell_angle_alpha   90.0
_cell_angle_beta   102.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc5
_chemical_formula_sum   'Hf1 Tc5'
_cell_volume   93.53
_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  0.87  0.23  0.87  1.0
  Tc  Tc1  1  0.18  0.0  0.18  1.0
  Tc  Tc2  1  0.2  0.0  0.2  1.0
  Tc  Tc3  1  0.23  0.23  0.23  1.0
  Tc  Tc4  1  0.64  0.0  0.64  1.0
  Tc  Tc5  1  0.89  0.23  0.89  1.0

Hf Tc Tc Tc Tc Tc