data_ZrTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   3.14
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi
_chemical_formula_sum   'Zr2 Ti2'
_cell_volume   80.89
_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  0.66  0.57  0.64  1.0
  Zr  Zr3  1  0.22  0.57  0.63  1.0
  Ti  Ti0  1  0.22  0.0  0.89  1.0
  Ti  Ti1  1  0.66  0.0  0.39  1.0

data_ZrTi
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.88
_cell_length_b   3.14
_cell_length_c   5.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   ZrTi
_chemical_formula_sum   'Zr2 Ti2'
_cell_volume   80.89
_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  0.22  0.57  0.5  1.0
  Ti  Ti1  2  0.22  0.0  0.25  1.0

Zr Zr Ti Ti
Zr Zr Ti Ti 0 1 o o o 0 3 o o o 0 3 o + o 1 2 o o o 1 2 o + o 