data_Mg2Zn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.53
_cell_length_b   8.53
_cell_length_c   8.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Zn11
_chemical_formula_sum   'Mg6 Zn33'
_cell_volume   620.57
_cell_formula_units_Z   3
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
  Mg  Mg0  1  0.86  0.0  0.26  1.0
  Mg  Mg1  1  0.67  0.0  0.26  1.0
  Mg  Mg2  1  0.26  0.86  0.0  1.0
  Mg  Mg3  1  0.26  0.67  0.0  1.0
  Mg  Mg4  1  0.0  0.26  0.67  1.0
  Mg  Mg5  1  0.0  0.26  0.86  1.0
  Zn  Zn6  1  0.0  0.17  0.25  1.0
  Zn  Zn7  1  0.0  0.36  0.25  1.0
  Zn  Zn8  1  0.0  0.17  0.28  1.0
  Zn  Zn9  1  0.0  0.36  0.28  1.0
  Zn  Zn10  1  0.28  0.0  0.36  1.0
  Zn  Zn11  1  0.28  0.0  0.17  1.0
  Zn  Zn12  1  0.25  0.0  0.36  1.0
  Zn  Zn13  1  0.25  0.0  0.17  1.0
  Zn  Zn14  1  0.17  0.28  0.0  1.0
  Zn  Zn15  1  0.36  0.28  0.0  1.0
  Zn  Zn16  1  0.17  0.25  0.0  1.0
  Zn  Zn17  1  0.36  0.25  0.0  1.0
  Zn  Zn18  1  0.13  0.13  0.4  1.0
  Zn  Zn19  1  0.4  0.4  0.4  1.0
  Zn  Zn20  1  0.4  0.13  0.13  1.0
  Zn  Zn21  1  0.13  0.4  0.13  1.0
  Zn  Zn22  1  0.4  0.4  0.13  1.0
  Zn  Zn23  1  0.13  0.13  0.13  1.0
  Zn  Zn24  1  0.13  0.4  0.4  1.0
  Zn  Zn25  1  0.4  0.13  0.4  1.0
  Zn  Zn26  1  0.23  0.26  0.26  1.0
  Zn  Zn27  1  0.3  0.26  0.26  1.0
  Zn  Zn28  1  0.26  0.23  0.26  1.0
  Zn  Zn29  1  0.26  0.3  0.26  1.0
  Zn  Zn30  1  0.26  0.26  0.3  1.0
  Zn  Zn31  1  0.26  0.26  0.23  1.0
  Zn  Zn32  1  0.62  0.26  0.0  1.0
  Zn  Zn33  1  0.91  0.26  0.0  1.0
  Zn  Zn34  1  0.0  0.62  0.26  1.0
  Zn  Zn35  1  0.0  0.91  0.26  1.0
  Zn  Zn36  1  0.26  0.0  0.91  1.0
  Zn  Zn37  1  0.26  0.0  0.62  1.0
  Zn  Zn38  1  0.0  0.0  0.0  1.0

data_Mg2Zn11
_symmetry_space_group_name_H-M   R3
_cell_length_a   12.06
_cell_length_b   12.06
_cell_length_c   14.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Mg2Zn11
_chemical_formula_sum   'Mg18 Zn99'
_cell_volume   1861.71
_cell_formula_units_Z   9
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Mg  Mg0  9  0.02  0.31  0.98  1.0
  Mg  Mg1  9  0.15  0.44  0.71  1.0
  Zn  Zn2  9  0.01  0.02  0.25  1.0
  Zn  Zn3  9  0.02  0.15  0.15  1.0
  Zn  Zn4  9  0.02  0.01  0.28  1.0
  Zn  Zn5  9  0.03  0.14  0.14  1.0
  Zn  Zn6  9  0.04  0.7  0.96  1.0
  Zn  Zn7  9  0.05  0.84  0.2  1.0
  Zn  Zn8  9  0.07  0.85  0.21  1.0
  Zn  Zn9  9  0.09  0.19  0.31  1.0
  Zn  Zn10  9  0.18  0.72  0.72  1.0
  Zn  Zn11  9  0.19  0.09  0.22  1.0
  Zn  Zn12  3  0.0  0.0  0.0  1.0
  Zn  Zn13  3  0.0  0.0  0.13  1.0
  Zn  Zn14  3  0.0  0.0  0.4  1.0

Mg Mg Mg Mg Mg Mg Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn
Mg Mg Mg Mg Mg Mg Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn 0 1 o o o 0 35 + - o 0 38 + o o 2 3 o o o 2 36 o + - 2 38 o + o 4 5 o o o 5 33 - o + 5 38 o o + 6 8 o o o 6 18 o o o 6 23 o o o 6 38 o o o 7 9 o o o 7 21 o o o 7 24 o o o 7 34 o o o 8 18 o o o 8 23 o o o 9 21 o o o 9 24 o o o 9 34 o o o 10 12 o o o 10 18 o o o 10 25 o o o 10 37 o o o 11 13 o o o 11 20 o o o 11 23 o o o 12 18 o o o 12 25 o o o 12 37 o o o 13 20 o o o 13 23 o o o 13 38 o o o 14 16 o o o 14 21 o o o 14 23 o o o 15 17 o o o 15 20 o o o 15 22 o o o 15 32 o o o 16 21 o o o 16 23 o o o 16 38 o o o 17 20 o o o 17 22 o o o 17 32 o o o 18 30 o o o 18 28 o o o 18 26 o o o 18 37 o o o 19 31 o o o 19 30 o o o 19 29 o o o 19 28 o o o 19 27 o o o 19 26 o o o 20 31 o o o 20 28 o o o 20 27 o o o 20 32 o o o 21 31 o o o 21 29 o o o 21 26 o o o 21 34 o o o 22 31 o o o 22 29 o o o 22 27 o o o 22 32 o o o 23 38 o o o 23 31 o o o 23 28 o o o 23 26 o o o 24 30 o o o 24 29 o o o 24 26 o o o 24 34 o o o 25 30 o o o 25 28 o o o 25 27 o o o 25 37 o o o 26 28 o o o 26 31 o o o 26 30 o o o 26 29 o o o 27 28 o o o 27 31 o o o 27 30 o o o 27 29 o o o 28 31 o o o 28 30 o o o 29 31 o o o 29 30 o o o 32 33 o o o 33 38 + o o 34 35 o o o 35 38 o + o 36 37 o o o 36 38 o o + 
Mg2Zn11 crystallizes in the trigonal R3 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 1-coordinate geometry to one Mg(2), one Zn(12), and one Zn(13) atom. The Mg(1)-Mg(2) bond length is 1.63 Å. The Mg(1)-Zn(12) bond length is 1.43 Å. The Mg(1)-Zn(13) bond length is 2.55 Å. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to one Mg(1), one Zn(11), one Zn(5), and one Zn(7) atom. The Mg(2)-Zn(11) bond length is 3.22 Å. The Mg(2)-Zn(5) bond length is 2.77 Å. The Mg(2)-Zn(7) bond length is 2.77 Å. There are thirteen inequivalent Zn sites. In the first Zn site, Zn(7) is bonded in a 1-coordinate geometry to one Mg(2), one Zn(11), one Zn(4), and one Zn(6) atom. The Zn(7)-Zn(11) bond length is 2.47 Å. The Zn(7)-Zn(4) bond length is 1.56 Å. The Zn(7)-Zn(6) bond length is 2.37 Å. In the second Zn site, Zn(8) is bonded in a distorted trigonal pyramidal geometry to one Zn(13) and three equivalent Zn(1) atoms. The Zn(8)-Zn(13) bond length is 1.86 Å. All Zn(8)-Zn(1) bond lengths are 1.56 Å. In the third Zn site, Zn(9) is bonded in a 4-coordinate geometry to two equivalent Zn(10) and two equivalent Zn(9) atoms. Both Zn(9)-Zn(10) bond lengths are 0.42 Å. Both Zn(9)-Zn(9) bond lengths are 0.42 Å. In the fourth Zn site, Zn(10) is bonded in a 4-coordinate geometry to one Zn(6), two equivalent Zn(10), and two equivalent Zn(9) atoms. The Zn(10)-Zn(6) bond length is 1.89 Å. Both Zn(10)-Zn(10) bond lengths are 0.42 Å. In the fifth Zn site, Zn(11) is bonded in a distorted hexagonal planar geometry to one Mg(2), one Zn(12), one Zn(2), one Zn(4), one Zn(5), and one Zn(7) atom. The Zn(11)-Zn(12) bond length is 2.41 Å. The Zn(11)-Zn(2) bond length is 2.25 Å. The Zn(11)-Zn(4) bond length is 2.25 Å. The Zn(11)-Zn(5) bond length is 2.47 Å. In the sixth Zn site, Zn(12) is bonded in a single-bond geometry to one Mg(1), one Zn(11), and one Zn(13) atom. The Zn(12)-Zn(13) bond length is 2.40 Å. In the seventh Zn site, Zn(1) is bonded in a single-bond geometry to one Zn(3) and one Zn(8) atom. The Zn(1)-Zn(3) bond length is 0.23 Å. In the eighth Zn site, Zn(2) is bonded in a distorted single-bond geometry to one Zn(11), one Zn(4), and one Zn(5) atom. The Zn(2)-Zn(4) bond length is 0.23 Å. The Zn(2)-Zn(5) bond length is 1.56 Å. In the ninth Zn site, Zn(3) is bonded in a single-bond geometry to one Zn(1) and one Zn(5) atom. The Zn(3)-Zn(5) bond length is 1.56 Å. In the tenth Zn site, Zn(4) is bonded in a single-bond geometry to one Zn(11), one Zn(2), and one Zn(7) atom. In the eleventh Zn site, Zn(13) is bonded in a 7-coordinate geometry to three equivalent Mg(1), one Zn(8), and three equivalent Zn(12) atoms. In the twelfth Zn site, Zn(5) is bonded in a 2-coordinate geometry to one Mg(2), one Zn(11), one Zn(2), and one Zn(3) atom. In the thirteenth Zn site, Zn(6) is bonded in a 6-coordinate geometry to three equivalent Zn(10) and three equivalent Zn(7) atoms.