data_Hf2ZrTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2ZrTa
_chemical_formula_sum   'Hf2 Zr1 Ta1'
_cell_volume   86.43
_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  0.21  0.2  1.0
  Hf  Hf1  1  0.21  0.0  0.2  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ta  Ta2  1  0.21  0.21  0.0  1.0

data_Hf2ZrTa
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   4.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Hf2ZrTa
_chemical_formula_sum   'Hf4 Zr2 Ta2'
_cell_volume   172.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.11  0.11  0.2  1.0
  Zr  Zr1  2  0.0  0.0  0.0  1.0
  Ta  Ta2  2  0.21  0.0  0.0  1.0

Hf Hf Zr Ta
Hf Hf Zr Ta 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
Hf2ZrTa is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Hf2ZrTa clusters. Hf(1) is bonded in a 3-coordinate geometry to one Hf(1), one Zr(1), and one Ta(1) atom. The Hf(1)-Hf(1) bond length is 1.34 Å. The Hf(1)-Zr(1) bond length is 1.30 Å. The Hf(1)-Ta(1) bond length is 1.30 Å. Zr(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Ta(1) atom. The Zr(1)-Ta(1) bond length is 1.34 Å. Ta(1) is bonded in a 3-coordinate geometry to two equivalent Hf(1) and one Zr(1) atom.