data_Hf2TcSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   4.5
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcSn
_chemical_formula_sum   'Hf2 Tc1 Sn1'
_cell_volume   80.89
_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  0.77  0.25  0.03  1.0
  Hf  Hf1  1  0.1  0.0  0.52  1.0
  Tc  Tc3  1  0.31  0.0  0.37  1.0
  Sn  Sn2  1  0.43  0.25  0.58  1.0

data_Hf2TcSn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.5
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   104.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2TcSn
_chemical_formula_sum   'Hf2 Tc1 Sn1'
_cell_volume   80.89
_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  0.1  0.0  0.52  1.0
  Hf  Hf1  1  0.77  0.25  0.03  1.0
  Tc  Tc2  1  0.31  0.0  0.37  1.0
  Sn  Sn3  1  0.43  0.25  0.58  1.0

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