data_ZrTa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTa
_chemical_formula_sum   'Zr2 Ta2'
_cell_volume   82.8
_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  0.0  0.73  0.89  1.0
  Zr  Zr3  1  0.5  0.87  0.72  1.0
  Ta  Ta0  1  0.0  0.73  0.36  1.0
  Ta  Ta1  1  0.5  0.87  0.25  1.0

data_ZrTa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrTa
_chemical_formula_sum   'Zr2 Ta2'
_cell_volume   82.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.25  0.57  0.41  1.0
  Ta  Ta1  2  0.25  0.57  0.95  1.0

Zr Zr Ta Ta