data_YMg3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   50.83
_cell_angle_beta   50.83
_cell_angle_gamma   50.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg3Cu2
_chemical_formula_sum   'Y1 Mg3 Cu2'
_cell_volume   137.4
_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  Y5  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.35  0.78  0.73  1.0
  Mg  Mg3  1  0.0  0.44  0.73  1.0
  Mg  Mg4  1  0.65  0.78  0.73  1.0
  Cu  Cu0  1  0.0  0.0  0.93  1.0
  Cu  Cu1  1  0.0  0.0  0.44  1.0

data_YMg3Cu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.39
_cell_length_b   5.39
_cell_length_c   6.28
_cell_angle_alpha   64.58
_cell_angle_beta   64.58
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMg3Cu2
_chemical_formula_sum   'Y1 Mg3 Cu2'
_cell_volume   137.4
_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  Y0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.22  0.27  0.16  1.0
  Mg  Mg2  1  0.22  0.27  0.85  1.0
  Mg  Mg3  1  0.56  0.27  0.17  1.0
  Cu  Cu4  1  0.0  0.07  0.93  1.0
  Cu  Cu5  1  0.0  0.56  0.44  1.0

Y Mg Mg Mg Cu Cu
Y Mg Mg Mg Cu Cu 0 4 o o - 0 1 o - - 0 2 o o - 0 5 o o o 1 4 o + o 1 3 o o o 1 5 o + o 2 4 o o o 2 3 - o o 2 5 o + o 3 5 + + o 4 5 o o o 
Mg3YCu2 crystallizes in the triclinic P1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(3), one Cu(1), and one Cu(2) atom. The Mg(1)-Mg(3) bond length is 1.91 Å. The Mg(1)-Cu(1) bond length is 1.78 Å. The Mg(1)-Cu(2) bond length is 2.81 Å. In the second Mg site, Mg(2) is bonded in a rectangular see-saw-like geometry to one Mg(3), one Y(1), one Cu(1), and one Cu(2) atom. The Mg(2)-Mg(3) bond length is 1.84 Å. The Mg(2)-Y(1) bond length is 2.16 Å. The Mg(2)-Cu(1) bond length is 2.22 Å. The Mg(2)-Cu(2) bond length is 2.74 Å. In the third Mg site, Mg(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mg(2), and one Cu(2) atom. The Mg(3)-Cu(2) bond length is 2.38 Å. Y(1) is bonded in a single-bond geometry to one Mg(2), one Cu(1), and one Cu(2) atom. The Y(1)-Cu(1) bond length is 0.47 Å. The Y(1)-Cu(2) bond length is 2.78 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted single-bond geometry to one Mg(1), one Mg(2), and one Y(1) atom. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), one Mg(3), and one Y(1) atom.