data_HfTa3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   144.77
_cell_angle_beta   129.16
_cell_angle_gamma   63.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa3
_chemical_formula_sum   'Hf1 Ta3'
_cell_volume   76.59
_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  0.0  1.0
  Ta  Ta1  1  0.0  0.39  0.27  1.0
  Ta  Ta2  1  0.0  0.0  0.74  1.0
  Ta  Ta3  1  0.69  0.0  0.47  1.0

data_HfTa3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.79
_cell_length_c   5.57
_cell_angle_alpha   115.42
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa3
_chemical_formula_sum   'Hf1 Ta3'
_cell_volume   76.59
_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  0.0  1.0
  Ta  Ta1  1  0.0  0.47  0.78  1.0
  Ta  Ta2  1  0.0  0.74  0.74  1.0
  Ta  Ta3  1  0.61  0.88  0.88  1.0

Hf Ta Ta Ta