data_Hf2TcMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   2.99
_cell_angle_alpha   102.3
_cell_angle_beta   102.3
_cell_angle_gamma   111.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcMo
_chemical_formula_sum   'Hf2 Tc1 Mo1'
_cell_volume   71.65
_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  0.92  0.82  0.38  1.0
  Hf  Hf1  1  0.92  0.18  0.38  1.0
  Tc  Tc3  1  0.97  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.0  1.0

data_Hf2TcMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   111.64
_cell_angle_beta   102.3
_cell_angle_gamma   102.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcMo
_chemical_formula_sum   'Hf2 Tc1 Mo1'
_cell_volume   71.65
_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  0.38  0.92  0.18  1.0
  Hf  Hf1  1  0.38  0.92  0.82  1.0
  Tc  Tc2  1  -0.0  0.97  0.0  1.0
  Mo  Mo3  1  0.0  0.0  0.0  1.0

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