data_Mg2RhSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.44
_cell_length_b   4.44
_cell_length_c   3.43
_cell_angle_alpha   91.43
_cell_angle_beta   91.43
_cell_angle_gamma   93.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2RhSe
_chemical_formula_sum   'Mg2 Rh1 Se1'
_cell_volume   67.45
_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  0.46  0.38  0.71  1.0
  Mg  Mg1  1  0.46  0.62  0.71  1.0
  Rh  Rh2  1  0.04  0.0  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Mg2RhSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   4.44
_cell_length_c   4.44
_cell_angle_alpha   93.8
_cell_angle_beta   91.43
_cell_angle_gamma   91.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2RhSe
_chemical_formula_sum   'Mg2 Rh1 Se1'
_cell_volume   67.45
_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  0.71  0.46  0.38  1.0
  Mg  Mg1  1  0.71  0.46  0.62  1.0
  Rh  Rh2  1  0.0  0.04  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Mg Mg Rh Se
Mg2RhSe crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 4-coordinate geometry to one Mg(2), two equivalent Rh(1), and one Se(1) atom. The Mg(1)-Mg(2) bond length is 1.09 Å. There is one shorter (2.65 Å) and one longer (3.37 Å) Mg(1)-Rh(1) bond length. The Mg(1)-Se(1) bond length is 3.19 Å. In the second Mg site, Mg(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Rh(1), and one Se(1) atom. The Mg(2)-Rh(1) bond length is 2.77 Å. The Mg(2)-Se(1) bond length is 2.98 Å. Rh(1) is bonded in a single-bond geometry to one Mg(2), two equivalent Mg(1), and one Se(1) atom. The Rh(1)-Se(1) bond length is 0.16 Å. Se(1) is bonded in a single-bond geometry to one Mg(1), one Mg(2), and one Rh(1) atom.