data_Zr2Ta
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   8.21
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ta
_chemical_formula_sum   'Zr4 Ta2'
_cell_volume   126.47
_cell_formula_units_Z   2
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  0.11  0.74  0.0  1.0
  Zr  Zr3  1  0.4  0.85  0.53  1.0
  Zr  Zr4  1  0.63  0.36  0.53  1.0
  Zr  Zr5  1  0.92  0.46  0.0  1.0
  Ta  Ta0  1  0.0  0.0  0.0  1.0
  Ta  Ta1  1  0.52  0.1  0.53  1.0

data_Zr2Ta
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   5.03
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ta
_chemical_formula_sum   'Zr4 Ta2'
_cell_volume   126.47
_cell_formula_units_Z   2
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  -0.0  0.92  0.46  1.0
  Zr  Zr1  1  -0.0  0.11  0.74  1.0
  Zr  Zr2  1  0.53  0.4  0.85  1.0
  Zr  Zr3  1  0.53  0.63  0.36  1.0
  Ta  Ta4  1  0.0  0.0  0.0  1.0
  Ta  Ta5  1  0.53  0.52  0.1  1.0

Zr Zr Zr Zr Ta Ta