data_Zr2Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   2.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ti
_chemical_formula_sum   'Zr2 Ti1'
_cell_volume   72.75
_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  Zr1  1  0.0  0.47  0.49  1.0
  Zr  Zr2  1  0.47  0.0  0.49  1.0
  Ti  Ti0  1  0.0  0.0  0.0  1.0

data_Zr2Ti
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   2.98
_cell_length_b   6.99
_cell_length_c   6.99
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   Zr2Ti
_chemical_formula_sum   'Zr4 Ti2'
_cell_volume   145.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  '-x, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  4  0.5  0.24  0.24  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0

Zr Zr Ti
Zr Zr Ti 0 2 o o o 0 2 o o + 0 2 o + o 0 2 o + + 0 1 o o o 0 0 o o + 1 2 o o o 1 2 o o + 1 2 + o o 1 2 + o + 1 1 o o + 2 2 o o + 
Zr2Ti crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a 4-coordinate geometry to four equivalent Ti(1) atoms. There are a spread of Zr(1)-Ti(1) bond distances ranging from 2.75-3.02 Å. Ti(1) is bonded in a 10-coordinate geometry to eight equivalent Zr(1) and two equivalent Ti(1) atoms. Both Ti(1)-Ti(1) bond lengths are 2.98 Å.