data_HfZr2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   144.63
_cell_angle_beta   129.17
_cell_angle_gamma   63.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Ta
_chemical_formula_sum   'Hf1 Zr2 Ta1'
_cell_volume   86.09
_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  0.06  1.0
  Zr  Zr2  1  0.0  0.0  0.72  1.0
  Zr  Zr3  1  0.76  0.0  0.45  1.0
  Ta  Ta1  1  0.0  0.48  0.47  1.0

data_HfZr2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.97
_cell_length_c   5.79
_cell_angle_alpha   115.42
_cell_angle_beta   107.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2Ta
_chemical_formula_sum   'Hf1 Zr2 Ta1'
_cell_volume   86.09
_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  0.06  0.06  1.0
  Zr  Zr1  1  0.0  0.45  0.69  1.0
  Zr  Zr2  1  0.0  0.72  0.72  1.0
  Ta  Ta3  1  0.52  0.98  0.98  1.0

Hf Zr Zr Ta