data_Y4Mg2Cu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.31
_cell_length_b   8.31
_cell_length_c   7.55
_cell_angle_alpha   105.3
_cell_angle_beta   105.3
_cell_angle_gamma   24.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Mg2Cu3
_chemical_formula_sum   'Y4 Mg2 Cu3'
_cell_volume   207.75
_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  0.47  0.0  0.16  1.0
  Y  Y6  1  0.72  0.0  0.11  1.0
  Y  Y7  1  0.4  0.0  0.49  1.0
  Y  Y8  1  0.8  0.0  0.78  1.0
  Mg  Mg3  1  0.05  0.0  0.26  1.0
  Mg  Mg4  1  0.15  0.0  0.01  1.0
  Cu  Cu0  1  0.16  0.0  0.82  1.0
  Cu  Cu1  1  0.04  0.0  0.45  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0

data_Y4Mg2Cu3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   7.55
_cell_length_c   8.31
_cell_angle_alpha   105.3
_cell_angle_beta   102.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y4Mg2Cu3
_chemical_formula_sum   'Y4 Mg2 Cu3'
_cell_volume   207.75
_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  0.11  0.72  1.0
  Y  Y1  1  0.0  0.16  0.47  1.0
  Y  Y2  1  0.0  0.49  0.4  1.0
  Y  Y3  1  0.0  0.78  0.8  1.0
  Mg  Mg4  1  0.0  0.01  0.15  1.0
  Mg  Mg5  1  0.0  0.26  0.05  1.0
  Cu  Cu6  1  0.0  0.0  0.0  1.0
  Cu  Cu7  1  0.0  0.45  0.04  1.0
  Cu  Cu8  1  0.0  0.82  0.16  1.0

Y Y Y Y Mg Mg Cu Cu Cu
Mg2Y4Cu3 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted linear geometry to one Y(2), one Y(3), one Cu(2), and one Cu(3) atom. The Mg(1)-Y(2) bond length is 2.64 Å. The Mg(1)-Y(3) bond length is 2.99 Å. The Mg(1)-Cu(2) bond length is 1.42 Å. The Mg(1)-Cu(3) bond length is 1.91 Å. In the second Mg site, Mg(2) is bonded in a water-like geometry to one Y(1), one Cu(1), and one Cu(3) atom. The Mg(2)-Y(1) bond length is 2.64 Å. The Mg(2)-Cu(1) bond length is 1.42 Å. The Mg(2)-Cu(3) bond length is 1.22 Å. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a 4-coordinate geometry to one Mg(2), one Y(2), one Y(3), and one Cu(1) atom. The Y(1)-Y(2) bond length is 2.20 Å. The Y(1)-Y(3) bond length is 2.73 Å. The Y(1)-Cu(1) bond length is 3.15 Å. In the second Y site, Y(2) is bonded in a 3-coordinate geometry to one Mg(1), one Y(1), and one Cu(3) atom. The Y(2)-Cu(3) bond length is 2.65 Å. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one Mg(1), one Y(1), one Y(4), two equivalent Y(3), one Cu(1), and one Cu(2) atom. The Y(3)-Y(4) bond length is 3.44 Å. Both Y(3)-Y(3) bond lengths are 3.52 Å. The Y(3)-Cu(1) bond length is 3.58 Å. The Y(3)-Cu(2) bond length is 2.92 Å. In the fourth Y site, Y(4) is bonded in a single-bond geometry to one Y(3) and one Cu(3) atom. The Y(4)-Cu(3) bond length is 2.05 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a single-bond geometry to one Mg(2), one Y(1), and one Y(3) atom. In the second Cu site, Cu(2) is bonded in a single-bond geometry to one Mg(1) and one Y(3) atom. In the third Cu site, Cu(3) is bonded in a 1-coordinate geometry to one Mg(1), one Mg(2), one Y(2), and one Y(4) atom.