data_ZrTaNb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.16
_cell_angle_alpha   148.1
_cell_angle_beta   123.45
_cell_angle_gamma   66.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaNb
_chemical_formula_sum   'Zr1 Ta1 Nb1'
_cell_volume   59.69
_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
  Zr  Zr2  1  0.0  0.0  0.86  1.0
  Ta  Ta1  1  0.0  0.0  0.76  1.0
  Nb  Nb0  1  0.0  0.0  0.01  1.0

data_ZrTaNb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.88
_cell_length_c   5.16
_cell_angle_alpha   118.28
_cell_angle_beta   105.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTaNb
_chemical_formula_sum   'Zr1 Ta1 Nb1'
_cell_volume   59.69
_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
  Zr  Zr0  1  0.14  0.14  0.14  1.0
  Ta  Ta1  1  0.24  0.24  0.24  1.0
  Nb  Nb2  1  0.99  0.99  0.99  1.0

Zr Ta Nb
Zr Ta Nb 0 1 o o o 0 2 o o + 