data_Ce5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   14.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ce5Mg
_chemical_formula_sum   'Ce5 Mg1'
_cell_volume   194.94
_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
  Ce  Ce0  1  0.86  0.86  0.1  1.0
  Ce  Ce1  1  0.86  0.86  0.98  1.0
  Ce  Ce2  1  0.0  0.0  0.66  1.0
  Ce  Ce3  1  0.0  0.0  0.41  1.0
  Ce  Ce4  1  0.86  0.86  0.04  1.0
  Mg  Mg5  1  0.0  0.0  0.0  1.0

data_Ce5Mg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   14.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ce5Mg
_chemical_formula_sum   'Ce10 Mg2'
_cell_volume   389.87
_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
  Ce  Ce0  2  0.0  0.0  0.41  1.0
  Ce  Ce1  2  0.0  0.0  0.66  1.0
  Ce  Ce2  2  0.36  0.5  0.04  1.0
  Ce  Ce3  2  0.36  0.5  0.1  1.0
  Ce  Ce4  2  0.36  0.5  0.98  1.0
  Mg  Mg5  2  0.0  0.0  0.0  1.0

Ce Ce Ce Ce Ce Mg
MgCe5 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 2-coordinate geometry to one Ce(2) and one Ce(5) atom. The Mg(1)-Ce(2) bond length is 0.80 Å. The Mg(1)-Ce(5) bond length is 0.92 Å. There are five inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a single-bond geometry to one Ce(4) and one Ce(5) atom. The Ce(1)-Ce(4) bond length is 4.49 Å. The Ce(1)-Ce(5) bond length is 0.86 Å. In the second Ce site, Ce(2) is bonded in a 2-coordinate geometry to one Mg(1), one Ce(3), and one Ce(5) atom. The Ce(2)-Ce(3) bond length is 4.49 Å. The Ce(2)-Ce(5) bond length is 0.86 Å. In the third Ce site, Ce(3) is bonded to one Ce(2), one Ce(4), and four equivalent Ce(3) atoms to form a mixture of distorted edge and corner-sharing CeCe6 octahedra. The corner-sharing octahedra are not tilted. The Ce(3)-Ce(4) bond length is 3.51 Å. All Ce(3)-Ce(3) bond lengths are 3.72 Å. In the fourth Ce site, Ce(4) is bonded to one Ce(1), one Ce(3), and four equivalent Ce(4) atoms to form a mixture of distorted edge and corner-sharing CeCe6 octahedra. The corner-sharing octahedra are not tilted. All Ce(4)-Ce(4) bond lengths are 3.72 Å. In the fifth Ce site, Ce(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ce(1), and one Ce(2) atom.