data_ZrTi2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.59
_cell_angle_alpha   115.33
_cell_angle_beta   115.33
_cell_angle_gamma   35.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Co
_chemical_formula_sum   'Zr1 Ti2 Co1'
_cell_volume   66.68
_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  Zr3  1  0.85  0.0  0.97  1.0
  Ti  Ti1  1  0.24  0.0  0.13  1.0
  Ti  Ti2  1  0.98  0.0  0.1  1.0
  Co  Co0  1  0.02  0.0  0.96  1.0

data_ZrTi2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.59
_cell_length_c   5.31
_cell_angle_alpha   115.33
_cell_angle_beta   107.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTi2Co
_chemical_formula_sum   'Zr1 Ti2 Co1'
_cell_volume   66.68
_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  Zr0  1  0.0  0.97  0.85  1.0
  Ti  Ti1  1  0.0  0.1  0.98  1.0
  Ti  Ti2  1  0.0  0.13  0.24  1.0
  Co  Co3  1  0.0  0.96  0.02  1.0

Zr Ti Ti Co
ZrTi2Co crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrTi2Co cluster. Zr(1) is bonded in a 2-coordinate geometry to one Ti(2) and one Co(1) atom. The Zr(1)-Ti(2) bond length is 0.67 Å. The Zr(1)-Co(1) bond length is 0.90 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Co(1) atom. The Ti(1)-Co(1) bond length is 1.09 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Zr(1) and one Co(1) atom. The Ti(2)-Co(1) bond length is 0.76 Å. Co(1) is bonded in a distorted single-bond geometry to one Zr(1), one Ti(1), and one Ti(2) atom.