data_LaZr2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   131.45
_cell_angle_beta   131.45
_cell_angle_gamma   71.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Rh
_chemical_formula_sum   'La1 Zr2 Rh1'
_cell_volume   89.37
_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
  La  La0  1  0.24  0.0  0.22  1.0
  Zr  Zr2  1  0.0  0.24  0.22  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.44  1.0

data_LaZr2Rh
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.46
_cell_angle_alpha   114.27
_cell_angle_beta   114.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaZr2Rh
_chemical_formula_sum   'La1 Zr2 Rh1'
_cell_volume   89.37
_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
  La  La0  1  0.78  0.0  0.02  1.0
  Zr  Zr1  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.02  0.24  0.02  1.0
  Rh  Rh3  1  0.56  0.0  0.56  1.0

La Zr Zr Rh
La Zr Zr Rh 0 2 o o o 0 3 o o o 1 2 o o o 1 3 o o o 2 3 o o o 
LaZr2Rh crystallizes in the triclinic P1 space group. La(1) is bonded in a distorted single-bond geometry to one Zr(1), one Zr(2), and two equivalent Rh(1) atoms. The La(1)-Zr(1) bond length is 1.54 Å. The La(1)-Zr(2) bond length is 1.05 Å. There is one shorter (2.31 Å) and one longer (3.45 Å) La(1)-Rh(1) bond length. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 4-coordinate geometry to one La(1), one Zr(2), and two equivalent Rh(1) atoms. The Zr(1)-Zr(2) bond length is 1.05 Å. There is one shorter (2.31 Å) and one longer (3.45 Å) Zr(1)-Rh(1) bond length. In the second Zr site, Zr(2) is bonded in a 1-coordinate geometry to one La(1), one Zr(1), and two equivalent Rh(1) atoms. There is one shorter (2.40 Å) and one longer (3.06 Å) Zr(2)-Rh(1) bond length. Rh(1) is bonded in a 6-coordinate geometry to two equivalent La(1), two equivalent Zr(1), and two equivalent Zr(2) atoms.