data_TiZnCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnCr
_chemical_formula_sum   'Ti1 Zn1 Cr1'
_cell_volume   42.74
_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  0.0  0.0  0.3  1.0
  Zn  Zn2  1  0.33  0.77  0.72  1.0
  Cr  Cr0  1  1.0  0.54  0.93  1.0

data_TiZnCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   2.66
_cell_length_c   6.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiZnCr
_chemical_formula_sum   'Ti1 Zn1 Cr1'
_cell_volume   42.74
_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  Ti0  1  0.0  0.0  0.3  1.0
  Zn  Zn1  1  0.33  0.77  0.72  1.0
  Cr  Cr2  1  1.0  0.54  0.93  1.0

Ti Zn Cr
Ti Zn Cr 0 0 + + o 0 0 o + o 0 0 + o o 0 2 - o - 0 2 - - - 0 1 o - o 1 2 - o o 
ZnCrTi crystallizes in the triclinic P1 space group. Ti(1) is bonded in a 11-coordinate geometry to six equivalent Ti(1), two equivalent Cr(1), and three equivalent Zn(1) atoms. All Ti(1)-Ti(1) bond lengths are 2.66 Å. There is one shorter (2.89 Å) and one longer (2.97 Å) Ti(1)-Cr(1) bond length. There are a spread of Ti(1)-Zn(1) bond distances ranging from 3.18-3.40 Å. Cr(1) is bonded in a distorted single-bond geometry to two equivalent Ti(1) and one Zn(1) atom. The Cr(1)-Zn(1) bond length is 1.66 Å. Zn(1) is bonded in a distorted single-bond geometry to three equivalent Ti(1) and one Cr(1) atom.