data_Hf2TcIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   4.64
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcIr
_chemical_formula_sum   'Hf2 Tc1 Ir1'
_cell_volume   70.84
_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  0.91  0.32  0.91  1.0
  Hf  Hf1  1  0.91  0.0  0.43  1.0
  Tc  Tc3  1  0.94  0.0  0.02  1.0
  Ir  Ir2  1  0.74  0.32  0.4  1.0

data_Hf2TcIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.64
_cell_length_c   5.24
_cell_angle_alpha   90.0
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcIr
_chemical_formula_sum   'Hf2 Tc1 Ir1'
_cell_volume   70.84
_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  0.91  0.0  0.43  1.0
  Hf  Hf1  1  0.91  0.32  0.91  1.0
  Tc  Tc2  1  0.94  0.0  0.02  1.0
  Ir  Ir3  1  0.74  0.32  0.4  1.0

Hf Hf Tc Ir
Hf Hf Tc Ir 0 2 o o + 1 3 o o o 