data_Ca2LaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96
_cell_length_b   7.96
_cell_length_c   7.96
_cell_angle_alpha   153.99
_cell_angle_beta   144.83
_cell_angle_gamma   44.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2LaRh
_chemical_formula_sum   'Ca2 La1 Rh1'
_cell_volume   127.04
_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  0.41  0.86  1.0
  Ca  Ca1  1  0.79  0.0  0.51  1.0
  La  La2  1  0.0  0.0  0.37  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

data_Ca2LaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   4.81
_cell_length_c   7.96
_cell_angle_alpha   107.59
_cell_angle_beta   103.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2LaRh
_chemical_formula_sum   'Ca2 La1 Rh1'
_cell_volume   127.04
_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  0.51  0.72  1.0
  Ca  Ca1  1  0.59  0.46  0.46  1.0
  La  La2  1  0.0  0.37  0.37  1.0
  Rh  Rh3  1  0.0  0.0  0.0  1.0

Ca Ca La Rh
Ca2LaRh crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one Ca(2) and two equivalent La(1) atoms. The Ca(1)-Ca(2) bond length is 2.22 Å. There is one shorter (1.72 Å) and one longer (2.08 Å) Ca(1)-La(1) bond length. In the second Ca site, Ca(2) is bonded in a distorted single-bond geometry to one Ca(1) and two equivalent Rh(1) atoms. There is one shorter (2.69 Å) and one longer (3.78 Å) Ca(2)-Rh(1) bond length. La(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Rh(1) atom. The La(1)-Rh(1) bond length is 2.97 Å. Rh(1) is bonded in a 3-coordinate geometry to two equivalent Ca(2) and one La(1) atom.