data_Ti2ZnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ZnRh
_chemical_formula_sum   'Ti2 Zn1 Rh1'
_cell_volume   61.49
_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  0.49  0.49  0.11  1.0
  Ti  Ti2  1  0.49  0.49  0.78  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Rh  Rh0  1  0.0  0.0  0.45  1.0

data_Ti2ZnRh
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   2.99
_cell_length_b   2.99
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   Ti2ZnRh
_chemical_formula_sum   'Ti2 Zn1 Rh1'
_cell_volume   61.49
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  0.5  0.5  0.11  1.0
  Ti  Ti1  1  0.5  0.5  0.78  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.45  1.0

Ti Ti Zn Rh
Ti Ti Zn Rh 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 1 o o - 0 3 + + o 0 3 + o o 0 3 o + o 0 3 o o o 1 3 o o o 1 3 + + o 1 3 + o o 1 3 o + o 1 2 o o + 1 2 o + + 1 2 + o + 1 2 + + + 1 1 + o o 1 1 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
Ti2RhZn 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 Rh(1), and four equivalent Zn(1) atoms. The Ti(1)-Ti(2) bond length is 2.30 Å. There are a spread of Ti(1)-Rh(1) bond distances ranging from 3.10-3.14 Å. There are a spread of Ti(1)-Zn(1) bond distances ranging from 2.23-2.28 Å. In the second Ti site, Ti(2) is bonded in a 9-coordinate geometry to one Ti(1), four equivalent Rh(1), and four equivalent Zn(1) atoms. There are a spread of Ti(2)-Rh(1) bond distances ranging from 3.10-3.14 Å. There are a spread of Ti(2)-Zn(1) bond distances ranging from 2.58-2.62 Å. Rh(1) is bonded in a 13-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), four equivalent Rh(1), and one Zn(1) atom. All Rh(1)-Rh(1) bond lengths are 2.99 Å. The Rh(1)-Zn(1) bond length is 3.08 Å. Zn(1) is bonded in a 9-coordinate geometry to four equivalent Ti(1), four equivalent Ti(2), and one Rh(1) atom.