data_Y2MgFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2MgFe
_chemical_formula_sum   'Y2 Mg1 Fe1'
_cell_volume   93.55
_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  0.34  0.0  0.53  1.0
  Y  Y3  1  0.34  0.0  0.77  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Fe  Fe0  1  0.0  0.0  0.15  1.0

data_Y2MgFe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Y2MgFe
_chemical_formula_sum   'Y2 Mg1 Fe1'
_cell_volume   93.58
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Y0  1  0.34  0.0  0.53  1.0
  Y  Y1  1  0.34  0.0  0.77  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Fe  Fe3  1  0.0  0.0  0.15  1.0

Y Y Mg Fe
MgY2Fe crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a distorted single-bond geometry to two equivalent Y(2) and one Fe(1) atom. There is one shorter (2.21 Å) and one longer (2.91 Å) Mg(1)-Y(2) bond length. The Mg(1)-Fe(1) bond length is 1.25 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 7-coordinate geometry to one Y(2), four equivalent Y(1), and two equivalent Fe(1) atoms. The Y(1)-Y(2) bond length is 2.02 Å. All Y(1)-Y(1) bond lengths are 3.36 Å. There is one shorter (3.34 Å) and one longer (3.84 Å) Y(1)-Fe(1) bond length. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Y(1) atom. Fe(1) is bonded in a single-bond geometry to one Mg(1) and two equivalent Y(1) atoms.