data_ZrTi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi
_chemical_formula_sum   'Zr2 Ti2'
_cell_volume   109.49
_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  0.47  0.43  0.29  1.0
  Zr  Zr3  1  0.0  0.85  0.88  1.0
  Ti  Ti0  1  0.0  0.85  0.29  1.0
  Ti  Ti1  1  0.47  0.43  0.88  1.0

data_ZrTi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ZrTi
_chemical_formula_sum   'Zr2 Ti2'
_cell_volume   109.49
_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  0.24  0.29  0.21  1.0
  Ti  Ti1  2  0.24  0.29  0.79  1.0

Zr Zr Ti Ti
Zr Zr Ti Ti 0 2 o - o 0 2 + o o 0 3 o o - 1 3 - o o 1 3 o + o 1 2 o o + 
TiZr crystallizes in the triclinic P-1 space group. Zr(1) is bonded in a 5-coordinate geometry to five equivalent Ti(1) atoms. There are a spread of Zr(1)-Ti(1) bond distances ranging from 2.14-3.85 Å. Ti(1) is bonded in a 5-coordinate geometry to five equivalent Zr(1) atoms.