data_HfTc2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.91
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2P
_chemical_formula_sum   'Hf1 Tc2 P1'
_cell_volume   62.34
_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  0.74  0.95  0.0  1.0
  Tc  Tc2  1  0.0  0.95  0.29  1.0
  Tc  Tc3  1  0.74  0.0  0.29  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_HfTc2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.91
_cell_length_c   4.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTc2P
_chemical_formula_sum   'Hf1 Tc2 P1'
_cell_volume   62.34
_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  0.74  0.95  -0.0  1.0
  Tc  Tc1  1  -0.0  0.95  0.29  1.0
  Tc  Tc2  1  0.74  0.0  0.29  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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