data_LaFe2Rh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15
_cell_length_b   3.15
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaFe2Rh
_chemical_formula_sum   'La1 Fe2 Rh1'
_cell_volume   69.44
_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  La2  1  0.57  0.57  0.5  1.0
  Fe  Fe0  1  0.57  0.57  0.05  1.0
  Fe  Fe1  1  0.0  0.0  0.25  1.0
  Rh  Rh3  1  0.0  0.0  0.72  1.0

data_LaFe2Rh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaFe2Rh
_chemical_formula_sum   'La2 Fe4 Rh2'
_cell_volume   138.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.07  0.5  0.5  1.0
  Fe  Fe1  2  0.0  0.0  0.25  1.0
  Fe  Fe2  2  0.07  0.5  0.05  1.0
  Rh  Rh3  2  0.0  0.0  0.72  1.0

La Fe Fe Rh
La Fe Fe Rh 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 0 + o o 0 0 o + o 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o + - 1 3 + o - 1 3 + + - 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
LaFe2Rh crystallizes in the monoclinic Cm space group. La(1) is bonded in a 8-coordinate geometry to one Fe(1), four equivalent Fe(2), and four equivalent Rh(1) atoms. The La(1)-Fe(1) bond length is 3.16 Å. There are a spread of La(1)-Fe(2) bond distances ranging from 2.58-3.08 Å. There are a spread of La(1)-Rh(1) bond distances ranging from 2.46-2.99 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 13-coordinate geometry to one La(1), four equivalent Fe(1), four equivalent Fe(2), and four equivalent Rh(1) atoms. All Fe(1)-Fe(1) bond lengths are 3.15 Å. There are a spread of Fe(1)-Fe(2) bond distances ranging from 2.37-2.92 Å. There are a spread of Fe(1)-Rh(1) bond distances ranging from 2.98-3.43 Å. In the second Fe site, Fe(2) is bonded in a 1-coordinate geometry to four equivalent La(1) and four equivalent Fe(1) atoms. Rh(1) is bonded in a 3-coordinate geometry to four equivalent La(1) and four equivalent Fe(1) atoms.