data_Zr2SnRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.12
_cell_length_b   3.12
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SnRh
_chemical_formula_sum   'Zr2 Sn1 Rh1'
_cell_volume   80.29
_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  Zr2  1  0.56  0.56  0.42  1.0
  Zr  Zr3  1  0.56  0.56  0.81  1.0
  Sn  Sn1  1  0.0  0.0  0.11  1.0
  Rh  Rh0  1  0.0  0.0  0.0  1.0

data_Zr2SnRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   8.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2SnRh
_chemical_formula_sum   'Zr4 Sn2 Rh2'
_cell_volume   160.58
_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
  Zr  Zr0  2  0.06  0.5  0.42  1.0
  Zr  Zr1  2  0.06  0.5  0.81  1.0
  Sn  Sn2  2  0.0  0.0  0.11  1.0
  Rh  Rh3  2  0.0  0.0  0.0  1.0

Zr Zr Sn Rh
Zr Zr Sn Rh 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 0 1 o o o 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 2 o + + 1 2 + o + 1 2 + + + 1 1 + o o 1 1 o + o 2 3 o o o 
Zr2RhSn crystallizes in the monoclinic Cm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 9-coordinate geometry to one Zr(2), four equivalent Zr(1), and four equivalent Sn(1) atoms. The Zr(1)-Zr(2) bond length is 3.22 Å. All Zr(1)-Zr(1) bond lengths are 3.12 Å. There are a spread of Zr(1)-Sn(1) bond distances ranging from 3.16-3.53 Å. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to one Zr(1) and four equivalent Rh(1) atoms. There are a spread of Zr(2)-Rh(1) bond distances ranging from 2.50-2.95 Å. Rh(1) is bonded in a distorted single-bond geometry to four equivalent Zr(2) and one Sn(1) atom. The Rh(1)-Sn(1) bond length is 0.91 Å. Sn(1) is bonded in a single-bond geometry to four equivalent Zr(1) and one Rh(1) atom.