data_Mg2FeRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   143.21
_cell_angle_beta   128.95
_cell_angle_gamma   64.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeRh
_chemical_formula_sum   'Mg2 Fe1 Rh1'
_cell_volume   62.43
_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
  Mg  Mg1  1  0.0  0.21  0.14  1.0
  Mg  Mg2  1  0.62  0.0  0.2  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.0  0.0  0.35  1.0

data_Mg2FeRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.43
_cell_length_c   5.14
_cell_angle_alpha   115.52
_cell_angle_beta   108.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2FeRh
_chemical_formula_sum   'Mg2 Fe1 Rh1'
_cell_volume   62.43
_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
  Mg  Mg0  1  0.42  0.8  0.42  1.0
  Mg  Mg1  1  0.86  0.07  0.07  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Rh  Rh3  1  0.65  0.65  0.65  1.0

Mg Mg Fe Rh
Mg2FeRh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2FeRh cluster. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Fe(1) atom. The Mg(1)-Fe(1) bond length is 0.68 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Rh(1) atom. The Mg(2)-Rh(1) bond length is 1.59 Å. Fe(1) is bonded in a distorted single-bond geometry to one Mg(1) and one Rh(1) atom. The Fe(1)-Rh(1) bond length is 1.77 Å. Rh(1) is bonded in a distorted water-like geometry to one Mg(2) and one Fe(1) atom.