data_Ti2ZnCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnCo
_chemical_formula_sum   'Ti2 Zn1 Co1'
_cell_volume   56.79
_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
  Ti  Ti1  1  0.51  0.51  0.43  1.0
  Ti  Ti2  1  0.51  0.51  0.77  1.0
  Zn  Zn3  1  0.0  0.0  0.1  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_Ti2ZnCo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2ZnCo
_chemical_formula_sum   'Ti4 Zn2 Co2'
_cell_volume   113.57
_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+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ti  Ti0  2  0.01  0.5  0.43  1.0
  Ti  Ti1  2  0.01  0.5  0.77  1.0
  Zn  Zn2  2  0.0  0.0  0.1  1.0
  Co  Co3  2  0.0  0.0  0.0  1.0

Ti Ti Zn Co
Ti Ti Zn Co 0 1 o o o 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 2 + + + 2 3 o o o 
Ti2CoZn crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 9-coordinate geometry to one Ti(2), four equivalent Ti(1), and four equivalent Zn(1) atoms. The Ti(1)-Ti(2) bond length is 2.09 Å. All Ti(1)-Ti(1) bond lengths are 3.03 Å. There are a spread of Ti(1)-Zn(1) bond distances ranging from 2.93-3.01 Å. In the second Ti site, Ti(2) is bonded in a 5-coordinate geometry to one Ti(1) and four equivalent Co(1) atoms. There are a spread of Ti(2)-Co(1) bond distances ranging from 2.52-2.61 Å. Co(1) is bonded in a single-bond geometry to four equivalent Ti(2) and one Zn(1) atom. The Co(1)-Zn(1) bond length is 0.63 Å. Zn(1) is bonded in a single-bond geometry to four equivalent Ti(1) and one Co(1) atom.