data_YMg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   81.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Cu
_chemical_formula_sum   'Y2 Mg4 Cu2'
_cell_volume   194.14
_cell_formula_units_Z   2
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  Y6  1  0.91  0.62  0.52  1.0
  Y  Y7  1  0.91  0.38  0.17  1.0
  Mg  Mg2  1  0.3  0.92  0.52  1.0
  Mg  Mg3  1  0.51  0.08  0.17  1.0
  Mg  Mg4  1  0.51  0.92  0.52  1.0
  Mg  Mg5  1  0.3  0.08  0.17  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.0  0.35  1.0

data_YMg2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.69
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   98.64
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg2Cu
_chemical_formula_sum   'Y2 Mg4 Cu2'
_cell_volume   194.14
_cell_formula_units_Z   2
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  Y0  1  0.48  0.91  0.38  1.0
  Y  Y1  1  0.83  0.91  0.62  1.0
  Mg  Mg2  1  0.48  0.3  0.08  1.0
  Mg  Mg3  1  0.48  0.51  0.08  1.0
  Mg  Mg4  1  0.83  0.3  0.92  1.0
  Mg  Mg5  1  0.83  0.51  0.92  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.65  0.0  0.0  1.0

Y Y Mg Mg Mg Mg Cu Cu
Mg2YCu crystallizes in the triclinic P1 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 1-coordinate geometry to one Mg(3), one Cu(1), and one Cu(2) atom. The Mg(1)-Mg(3) bond length is 1.41 Å. The Mg(1)-Cu(1) bond length is 2.96 Å. The Mg(1)-Cu(2) bond length is 2.08 Å. In the second Mg site, Mg(2) is bonded in a 6-coordinate geometry to one Mg(4), two equivalent Mg(3), one Y(2), one Cu(1), and one Cu(2) atom. The Mg(2)-Mg(4) bond length is 1.41 Å. There is one shorter (1.96 Å) and one longer (3.26 Å) Mg(2)-Mg(3) bond length. The Mg(2)-Y(2) bond length is 3.38 Å. The Mg(2)-Cu(1) bond length is 3.21 Å. The Mg(2)-Cu(2) bond length is 3.21 Å. In the third Mg site, Mg(3) is bonded in a 3-coordinate geometry to one Mg(1), two equivalent Mg(2), and one Y(1) atom. The Mg(3)-Y(1) bond length is 2.92 Å. In the fourth Mg site, Mg(4) is bonded in a 3-coordinate geometry to one Mg(2), one Y(2), one Cu(1), and one Cu(2) atom. The Mg(4)-Y(2) bond length is 2.92 Å. The Mg(4)-Cu(1) bond length is 2.22 Å. The Mg(4)-Cu(2) bond length is 2.22 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 1-coordinate geometry to one Mg(3), two equivalent Y(2), one Cu(1), and one Cu(2) atom. There is one shorter (2.27 Å) and one longer (3.45 Å) Y(1)-Y(2) bond length. The Y(1)-Cu(1) bond length is 3.44 Å. The Y(1)-Cu(2) bond length is 2.73 Å. In the second Y site, Y(2) is bonded in a 6-coordinate geometry to one Mg(2), one Mg(4), two equivalent Y(1), one Cu(1), and one Cu(2) atom. The Y(2)-Cu(1) bond length is 2.56 Å. The Y(2)-Cu(2) bond length is 2.56 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), one Y(1), one Y(2), and one Cu(2) atom. The Cu(1)-Cu(2) bond length is 1.63 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(2), one Mg(4), one Y(1), one Y(2), and one Cu(1) atom.