data_HfTa2Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.59
_cell_angle_alpha   90.56
_cell_angle_beta   90.56
_cell_angle_gamma   32.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Nb
_chemical_formula_sum   'Hf1 Ta2 Nb1'
_cell_volume   77.22
_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  0.86  0.0  0.81  1.0
  Ta  Ta2  1  0.62  0.0  0.58  1.0
  Ta  Ta3  1  0.36  0.0  0.21  1.0
  Nb  Nb1  1  0.29  0.0  0.39  1.0

data_HfTa2Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   5.06
_cell_length_c   5.59
_cell_angle_alpha   90.56
_cell_angle_beta   90.0
_cell_angle_gamma   106.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTa2Nb
_chemical_formula_sum   'Hf1 Ta2 Nb1'
_cell_volume   77.22
_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  0.14  0.19  1.0
  Ta  Ta1  1  0.0  0.38  0.42  1.0
  Ta  Ta2  1  0.0  0.64  0.79  1.0
  Nb  Nb3  1  0.0  0.71  0.61  1.0

Hf Ta Ta Nb
Hf Ta Ta Nb 0 1 o o o 1 3 o o o 2 3 o o o 