data_YMg2Be
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Be
_chemical_formula_sum   'Y1 Mg2 Be1'
_cell_volume   84.72
_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  Y3  1  0.63  0.63  0.36  1.0
  Mg  Mg1  1  0.63  0.63  0.64  1.0
  Mg  Mg2  1  0.0  0.0  0.84  1.0
  Be  Be0  1  0.0  0.0  0.17  1.0

data_YMg2Be
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMg2Be
_chemical_formula_sum   'Y2 Mg4 Be2'
_cell_volume   169.44
_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  0.13  0.5  0.36  1.0
  Mg  Mg1  2  0.0  0.0  0.84  1.0
  Mg  Mg2  2  0.13  0.5  0.64  1.0
  Be  Be3  2  0.0  0.0  0.17  1.0

Y Mg Mg Be
Mg2BeY crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to one Mg(2) and one Y(1) atom. The Mg(1)-Mg(2) bond length is 2.35 Å. The Mg(1)-Y(1) bond length is 2.26 Å. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to one Mg(1) and one Be(1) atom. The Mg(2)-Be(1) bond length is 2.68 Å. Be(1) is bonded in a 5-coordinate geometry to one Mg(2) and four equivalent Y(1) atoms. There are a spread of Be(1)-Y(1) bond distances ranging from 2.25-3.23 Å. Y(1) is bonded in a 4-coordinate geometry to one Mg(1) and four equivalent Be(1) atoms.