data_Y2MgMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgMn
_chemical_formula_sum   'Y2 Mg1 Mn1'
_cell_volume   93.35
_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
  Y  Y2  1  0.0  0.0  0.51  1.0
  Y  Y3  1  0.7  0.7  0.31  1.0
  Mg  Mg0  1  0.0  0.0  0.52  1.0
  Mn  Mn1  1  0.7  0.7  0.86  1.0

data_Y2MgMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   8.08
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2MgMn
_chemical_formula_sum   'Y4 Mg2 Mn2'
_cell_volume   186.7
_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
  Y  Y0  2  0.0  0.0  0.51  1.0
  Y  Y1  2  0.2  0.5  0.31  1.0
  Mg  Mg2  2  0.0  0.0  0.52  1.0
  Mn  Mn3  2  0.2  0.5  0.86  1.0

Y Y Mg Mn
MgY2Mn crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a single-bond geometry to one Y(1) and one Mn(1) atom. The Mg(1)-Y(1) bond length is 0.05 Å. The Mg(1)-Mn(1) bond length is 3.13 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Mg(1) and one Y(2) atom. The Y(1)-Y(2) bond length is 2.22 Å. In the second Y site, Y(2) is bonded in a 2-coordinate geometry to one Y(1) and one Mn(1) atom. The Y(2)-Mn(1) bond length is 3.58 Å. Mn(1) is bonded to one Mg(1), one Y(2), and four equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing MnYMgMn4 octahedra. The corner-sharing octahedra are not tilted. All Mn(1)-Mn(1) bond lengths are 3.40 Å.