data_Ta3Nb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   14.53
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Nb
_chemical_formula_sum   'Ta18 Nb6'
_cell_volume   446.79
_cell_formula_units_Z   6
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
  Ta  Ta6  1  0.39  0.84  0.67  1.0
  Ta  Ta7  1  0.39  0.7  0.67  1.0
  Ta  Ta8  1  0.39  0.0  0.47  1.0
  Ta  Ta9  1  0.38  0.27  0.07  1.0
  Ta  Ta10  1  0.39  0.1  0.88  1.0
  Ta  Ta11  1  0.39  0.43  0.88  1.0
  Ta  Ta12  1  0.0  0.27  0.89  1.0
  Ta  Ta13  1  0.0  0.05  0.13  1.0
  Ta  Ta14  1  0.0  0.48  0.13  1.0
  Ta  Ta15  1  0.16  0.84  0.67  1.0
  Ta  Ta16  1  0.16  0.7  0.67  1.0
  Ta  Ta17  1  0.15  0.0  0.47  1.0
  Ta  Ta18  1  0.16  0.27  0.07  1.0
  Ta  Ta19  1  0.16  0.1  0.88  1.0
  Ta  Ta20  1  0.16  0.43  0.88  1.0
  Ta  Ta21  1  0.77  0.0  0.65  1.0
  Ta  Ta22  1  0.77  0.79  0.42  1.0
  Ta  Ta23  1  0.77  0.75  0.42  1.0
  Nb  Nb0  1  0.0  0.0  0.76  1.0
  Nb  Nb1  1  0.0  0.87  0.47  1.0
  Nb  Nb2  1  0.0  0.66  0.47  1.0
  Nb  Nb3  1  0.77  0.27  0.78  1.0
  Nb  Nb4  1  0.77  0.14  0.08  1.0
  Nb  Nb5  1  0.77  0.4  0.08  1.0

data_Ta3Nb
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   14.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta3Nb
_chemical_formula_sum   'Ta18 Nb6'
_cell_volume   446.79
_cell_formula_units_Z   6
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
  Ta  Ta0  1  0.0  0.11  0.73  1.0
  Ta  Ta1  1  0.0  0.87  0.52  1.0
  Ta  Ta2  1  0.0  0.87  0.95  1.0
  Ta  Ta3  1  0.23  0.35  0.0  1.0
  Ta  Ta4  1  0.23  0.58  0.21  1.0
  Ta  Ta5  1  0.23  0.58  0.25  1.0
  Ta  Ta6  1  0.61  0.53  0.0  1.0
  Ta  Ta7  1  0.61  0.33  0.16  1.0
  Ta  Ta8  1  0.61  0.33  0.3  1.0
  Ta  Ta9  1  0.61  0.12  0.57  1.0
  Ta  Ta10  1  0.61  0.12  0.9  1.0
  Ta  Ta11  1  0.62  0.93  0.73  1.0
  Ta  Ta12  1  0.84  0.93  0.73  1.0
  Ta  Ta13  1  0.84  0.12  0.57  1.0
  Ta  Ta14  1  0.84  0.12  0.9  1.0
  Ta  Ta15  1  0.84  0.33  0.16  1.0
  Ta  Ta16  1  0.84  0.33  0.3  1.0
  Ta  Ta17  1  0.85  0.53  0.0  1.0
  Nb  Nb18  1  0.0  0.24  0.0  1.0
  Nb  Nb19  1  0.0  0.53  0.13  1.0
  Nb  Nb20  1  0.0  0.53  0.34  1.0
  Nb  Nb21  1  0.23  0.22  0.73  1.0
  Nb  Nb22  1  0.23  0.92  0.6  1.0
  Nb  Nb23  1  0.23  0.92  0.86  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Ta Nb Nb Nb Nb Nb Nb