data_LiZr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   3.33
_cell_angle_alpha   91.0
_cell_angle_beta   91.0
_cell_angle_gamma   91.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2Rh
_chemical_formula_sum   'Li1 Zr2 Rh1'
_cell_volume   71.43
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.57  0.66  0.66  1.0
  Zr  Zr3  1  0.57  0.34  0.66  1.0
  Rh  Rh1  1  0.23  0.0  0.0  1.0

data_LiZr2Rh
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.33
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   91.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   LiZr2Rh
_chemical_formula_sum   'Li1 Zr2 Rh1'
_cell_volume   71.47
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.66  0.34  0.57  1.0
  Rh  Rh2  1  0.0  0.0  0.23  1.0

Li Zr Zr Rh
LiZr2Rh crystallizes in the monoclinic Pm space group. Li(1) is bonded in a single-bond geometry to two equivalent Zr(1) and one Rh(1) atom. Both Li(1)-Zr(1) bond lengths are 2.75 Å. The Li(1)-Rh(1) bond length is 1.07 Å. Zr(1) is bonded in a 4-coordinate geometry to one Li(1), one Zr(1), and two equivalent Rh(1) atoms. The Zr(1)-Zr(1) bond length is 1.49 Å. There is one shorter (2.51 Å) and one longer (3.13 Å) Zr(1)-Rh(1) bond length. Rh(1) is bonded in a distorted single-bond geometry to one Li(1) and four equivalent Zr(1) atoms.