data_Y3Mg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.18
_cell_length_b   8.18
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   125.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Mg2Cu
_chemical_formula_sum   'Y6 Mg4 Cu2'
_cell_volume   313.2
_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  0.75  0.83  0.31  1.0
  Y  Y7  1  0.75  0.17  0.44  1.0
  Y  Y8  1  0.91  0.8  0.31  1.0
  Y  Y9  1  0.59  0.2  0.44  1.0
  Y  Y10  1  0.59  0.8  0.31  1.0
  Y  Y11  1  0.91  0.2  0.44  1.0
  Mg  Mg2  1  0.42  0.0  0.87  1.0
  Mg  Mg3  1  0.09  0.0  0.0  1.0
  Mg  Mg4  1  0.09  0.0  0.87  1.0
  Mg  Mg5  1  0.42  0.0  0.0  1.0
  Cu  Cu0  1  0.75  0.82  0.31  1.0
  Cu  Cu1  1  0.75  0.18  0.44  1.0

data_Y3Mg2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.75
_cell_length_b   7.5
_cell_length_c   8.18
_cell_angle_alpha   117.31
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Mg2Cu
_chemical_formula_sum   'Y6 Mg4 Cu2'
_cell_volume   313.2
_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  0.31  0.17  0.92  1.0
  Y  Y1  1  0.31  0.2  0.12  1.0
  Y  Y2  1  0.31  0.2  0.79  1.0
  Y  Y3  1  0.44  0.8  0.38  1.0
  Y  Y4  1  0.44  0.8  0.71  1.0
  Y  Y5  1  0.44  0.83  0.58  1.0
  Mg  Mg6  1  0.0  0.0  0.09  1.0
  Mg  Mg7  1  0.0  0.0  0.42  1.0
  Mg  Mg8  1  0.87  0.0  0.09  1.0
  Mg  Mg9  1  0.87  0.0  0.42  1.0
  Cu  Cu10  1  0.31  0.18  0.93  1.0
  Cu  Cu11  1  0.44  0.82  0.57  1.0

Y Y Y Y Y Y Mg Mg Mg Mg Cu Cu
Mg2Y3Cu is Hg_xSn structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Mg2Y3Cu cluster. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Mg(4) atom. The Mg(1)-Mg(4) bond length is 0.73 Å. In the second Mg site, Mg(2) is bonded in a distorted bent 150 degrees geometry to one Mg(3) and one Y(3) atom. The Mg(2)-Mg(3) bond length is 0.73 Å. The Mg(2)-Y(3) bond length is 2.28 Å. In the third Mg site, Mg(3) is bonded in a single-bond geometry to one Mg(2) atom. In the fourth Mg site, Mg(4) is bonded in a 1-coordinate geometry to one Mg(1) and one Y(5) atom. The Mg(4)-Y(5) bond length is 3.25 Å. There are six inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Y(5) and one Cu(1) atom. The Y(1)-Y(5) bond length is 1.21 Å. The Y(1)-Cu(1) bond length is 0.07 Å. In the second Y site, Y(2) is bonded in a single-bond geometry to one Y(5), one Y(6), and one Cu(2) atom. The Y(2)-Y(5) bond length is 2.62 Å. The Y(2)-Y(6) bond length is 1.21 Å. The Y(2)-Cu(2) bond length is 0.07 Å. In the third Y site, Y(3) is bonded in a distorted single-bond geometry to one Mg(2) and one Cu(1) atom. The Y(3)-Cu(1) bond length is 1.46 Å. In the fourth Y site, Y(4) is bonded in a single-bond geometry to one Cu(2) atom. The Y(4)-Cu(2) bond length is 1.46 Å. In the fifth Y site, Y(5) is bonded in a distorted single-bond geometry to one Mg(4), one Y(1), one Y(2), and one Cu(1) atom. The Y(5)-Cu(1) bond length is 1.24 Å. In the sixth Y site, Y(6) is bonded in a distorted single-bond geometry to one Y(2) atom. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Y(1), one Y(3), and one Y(5) atom. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Y(2) and one Y(4) atom.