data_FeAsRh2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   2.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.27
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAsRh2
_chemical_formula_sum   'Fe1 As1 Rh2'
_cell_volume   54.29
_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
  Fe  Fe1  1  0.0  0.0  0.0  1.0
  As  As0  1  0.69  0.0  0.0  1.0
  Rh  Rh2  1  0.35  0.8  0.4  1.0
  Rh  Rh3  1  0.35  0.2  0.4  1.0

data_FeAsRh2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.49
_cell_length_c   4.49
_cell_angle_alpha   106.27
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAsRh2
_chemical_formula_sum   'Fe1 As1 Rh2'
_cell_volume   54.29
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  As  As1  1  0.0  0.69  0.0  1.0
  Rh  Rh2  1  0.4  0.35  0.2  1.0
  Rh  Rh3  1  0.4  0.35  0.8  1.0

Fe As Rh Rh
Fe As Rh Rh 0 1 - o o 0 3 o o o 1 2 o - o 2 3 o + o 
FeRh2As crystallizes in the triclinic P1 space group. Fe(1) is bonded in a 2-coordinate geometry to two equivalent Rh(1), two equivalent Rh(2), and one As(1) atom. There is one shorter (2.31 Å) and one longer (2.62 Å) Fe(1)-Rh(1) bond length. There is one shorter (1.93 Å) and one longer (2.30 Å) Fe(1)-Rh(2) bond length. The Fe(1)-As(1) bond length is 1.37 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 6-coordinate geometry to two equivalent Fe(1), two equivalent Rh(2), and two equivalent As(1) atoms. There is one shorter (1.83 Å) and one longer (2.66 Å) Rh(1)-Rh(2) bond length. There is one shorter (1.93 Å) and one longer (2.30 Å) Rh(1)-As(1) bond length. In the second Rh site, Rh(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and two equivalent Rh(1) atoms. As(1) is bonded in a 1-coordinate geometry to one Fe(1) and two equivalent Rh(1) atoms.