data_FeRh2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRh2Cl
_chemical_formula_sum   'Fe1 Rh2 Cl1'
_cell_volume   51.74
_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  0.86  0.86  0.0  1.0
  Rh  Rh2  1  0.86  0.0  0.86  1.0
  Rh  Rh3  1  0.0  0.86  0.86  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_FeRh2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeRh2Cl
_chemical_formula_sum   'Fe2 Rh4 Cl2'
_cell_volume   103.48
_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
  Fe  Fe0  2  0.36  0.5  -0.0  1.0
  Rh  Rh1  4  0.43  0.43  0.86  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Fe Rh Rh Cl
Fe Rh Rh Cl 0 2 + o - 0 1 o + - 0 3 + + o 1 2 + - o 1 3 + o + 2 3 o + + 
FeRh2Cl is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two FeRh2Cl clusters. Fe(1) is bonded in a 3-coordinate geometry to two equivalent Rh(1) and one Cl(1) atom. Both Fe(1)-Rh(1) bond lengths are 0.72 Å. The Fe(1)-Cl(1) bond length is 0.71 Å. Rh(1) is bonded in a 3-coordinate geometry to one Fe(1), one Rh(1), and one Cl(1) atom. The Rh(1)-Rh(1) bond length is 0.71 Å. The Rh(1)-Cl(1) bond length is 0.72 Å. Cl(1) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Rh(1) atoms.