data_CaHfRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.72
_cell_length_b   4.72
_cell_length_c   3.26
_cell_angle_alpha   90.78
_cell_angle_beta   90.78
_cell_angle_gamma   90.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaHfRh2
_chemical_formula_sum   'Ca1 Hf1 Rh2'
_cell_volume   72.68
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.31  0.0  0.0  1.0
  Rh  Rh2  1  0.62  0.68  0.63  1.0
  Rh  Rh3  1  0.62  0.32  0.63  1.0

data_CaHfRh2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.26
_cell_length_b   4.72
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaHfRh2
_chemical_formula_sum   'Ca1 Hf1 Rh2'
_cell_volume   72.7
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Hf  Hf1  1  0.0  0.0  0.31  1.0
  Rh  Rh2  2  0.63  0.32  0.62  1.0

Ca Hf Rh Rh
Ca Hf Rh Rh 0 1 o o o 2 3 o o o 
CaHfRh2 crystallizes in the monoclinic Pm space group. Ca(1) is bonded in a 3-coordinate geometry to one Hf(1) and four equivalent Rh(1) atoms. The Ca(1)-Hf(1) bond length is 1.46 Å. There are two shorter (2.61 Å) and two longer (3.12 Å) Ca(1)-Rh(1) bond lengths. Hf(1) is bonded in a 5-coordinate geometry to one Ca(1) and four equivalent Rh(1) atoms. There are two shorter (2.43 Å) and two longer (2.93 Å) Hf(1)-Rh(1) bond lengths. Rh(1) is bonded in a 5-coordinate geometry to two equivalent Ca(1), two equivalent Hf(1), and one Rh(1) atom. The Rh(1)-Rh(1) bond length is 1.73 Å.