data_HfTaZn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   146.52
_cell_angle_beta   138.28
_cell_angle_gamma   54.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaZn
_chemical_formula_sum   'Hf1 Ta1 Zn1'
_cell_volume   54.95
_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  0.0  0.0  0.44  1.0
  Ta  Ta1  1  0.0  0.0  0.38  1.0
  Zn  Zn2  1  0.0  0.0  0.1  1.0

data_HfTaZn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   3.79
_cell_length_c   5.32
_cell_angle_alpha   110.86
_cell_angle_beta   106.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTaZn
_chemical_formula_sum   'Hf1 Ta1 Zn1'
_cell_volume   54.95
_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  0.56  0.56  0.56  1.0
  Ta  Ta1  1  0.62  0.62  0.62  1.0
  Zn  Zn2  1  0.9  0.9  0.9  1.0

Hf Ta Zn
Hf Ta Zn 0 1 o o o 0 2 o o o 1 2 o o o 