data_Na2ZrRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.3
_cell_length_b   3.56
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   94.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrRh
_chemical_formula_sum   'Na2 Zr1 Rh1'
_cell_volume   94.68
_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
  Na  Na0  1  0.47  0.78  0.98  1.0
  Na  Na1  1  0.54  0.0  0.32  1.0
  Zr  Zr3  1  0.21  0.0  0.49  1.0
  Rh  Rh2  1  0.91  0.78  0.36  1.0

data_Na2ZrRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   3.56
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   94.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2ZrRh
_chemical_formula_sum   'Na2 Zr1 Rh1'
_cell_volume   94.68
_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
  Na  Na0  1  0.47  0.78  0.98  1.0
  Na  Na1  1  0.54  0.0  0.32  1.0
  Zr  Zr2  1  0.21  0.0  0.49  1.0
  Rh  Rh3  1  0.91  0.78  0.36  1.0

Na Na Zr Rh
Na Na Zr Rh 0 3 - o + 0 3 o o + 0 0 + o o 0 0 o + o 0 1 o + + 1 3 o - o 1 2 o o o 2 3 - - o 
Na2ZrRh crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 7-coordinate geometry to one Na(2), four equivalent Na(1), one Zr(1), and one Rh(1) atom. The Na(1)-Na(2) bond length is 2.86 Å. There are two shorter (3.30 Å) and two longer (3.56 Å) Na(1)-Na(1) bond lengths. The Na(1)-Zr(1) bond length is 4.02 Å. The Na(1)-Rh(1) bond length is 3.35 Å. In the second Na site, Na(2) is bonded in a 1-coordinate geometry to one Na(1), one Zr(1), and one Rh(1) atom. The Na(2)-Zr(1) bond length is 1.85 Å. The Na(2)-Rh(1) bond length is 1.46 Å. Zr(1) is bonded in a distorted L-shaped geometry to one Na(1), one Na(2), and one Rh(1) atom. The Zr(1)-Rh(1) bond length is 1.59 Å. Rh(1) is bonded in a distorted water-like geometry to one Na(1), one Na(2), and one Zr(1) atom.