data_ZnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75
_cell_length_b   7.62
_cell_length_c   5.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPt
_chemical_formula_sum   'Zn12 Pt12'
_cell_volume   362.1
_cell_formula_units_Z   12
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
  Zn  Zn12  1  0.93  0.27  0.36  1.0
  Zn  Zn13  1  0.82  0.36  0.07  1.0
  Zn  Zn14  1  0.82  0.45  0.36  1.0
  Zn  Zn15  1  0.93  0.17  0.07  1.0
  Zn  Zn16  1  0.15  0.8  0.36  1.0
  Zn  Zn17  1  0.6  0.82  0.07  1.0
  Zn  Zn18  1  0.6  0.62  0.36  1.0
  Zn  Zn19  1  0.15  0.01  0.07  1.0
  Zn  Zn20  1  0.41  0.91  0.0  1.0
  Zn  Zn21  1  0.35  0.72  0.71  1.0
  Zn  Zn22  1  0.35  0.72  0.0  1.0
  Zn  Zn23  1  0.41  0.91  0.71  1.0
  Pt  Pt0  1  0.26  0.76  0.36  1.0
  Pt  Pt1  1  0.5  0.86  0.07  1.0
  Pt  Pt2  1  0.5  0.95  0.36  1.0
  Pt  Pt3  1  0.26  0.67  0.07  1.0
  Pt  Pt4  1  0.39  0.38  0.36  1.0
  Pt  Pt5  1  0.37  0.24  0.07  1.0
  Pt  Pt6  1  0.37  0.19  0.36  1.0
  Pt  Pt7  1  0.39  0.43  0.07  1.0
  Pt  Pt8  1  0.13  0.91  0.0  1.0
  Pt  Pt9  1  0.63  0.72  0.71  1.0
  Pt  Pt10  1  0.63  0.72  0.0  1.0
  Pt  Pt11  1  0.13  0.91  0.71  1.0

data_ZnPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.43
_cell_length_b   7.62
_cell_length_c   8.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnPt
_chemical_formula_sum   'Zn12 Pt12'
_cell_volume   362.1
_cell_formula_units_Z   12
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
  Zn  Zn0  1  0.0  0.09  0.59  1.0
  Zn  Zn1  1  0.0  0.28  0.65  1.0
  Zn  Zn2  1  0.29  0.09  0.59  1.0
  Zn  Zn3  1  0.29  0.28  0.65  1.0
  Zn  Zn4  1  0.64  0.2  0.85  1.0
  Zn  Zn5  1  0.64  0.38  0.4  1.0
  Zn  Zn6  1  0.64  0.55  0.18  1.0
  Zn  Zn7  1  0.64  0.73  0.07  1.0
  Zn  Zn8  1  0.93  0.18  0.4  1.0
  Zn  Zn9  1  0.93  0.64  0.18  1.0
  Zn  Zn10  1  0.93  0.83  0.07  1.0
  Zn  Zn11  1  0.93  0.99  0.85  1.0
  Pt  Pt12  1  0.0  0.09  0.87  1.0
  Pt  Pt13  1  0.0  0.28  0.37  1.0
  Pt  Pt14  1  0.29  0.09  0.87  1.0
  Pt  Pt15  1  0.29  0.28  0.37  1.0
  Pt  Pt16  1  0.64  0.05  0.5  1.0
  Pt  Pt17  1  0.64  0.24  0.74  1.0
  Pt  Pt18  1  0.64  0.62  0.61  1.0
  Pt  Pt19  1  0.64  0.81  0.63  1.0
  Pt  Pt20  1  0.93  0.14  0.5  1.0
  Pt  Pt21  1  0.93  0.33  0.74  1.0
  Pt  Pt22  1  0.93  0.57  0.61  1.0
  Pt  Pt23  1  0.93  0.76  0.63  1.0

Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Zn Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt 0 1 o o o 0 2 o o o 0 3 o o o 1 3 o o o 1 2 o o o 2 6 o o o 4 12 o o o 5 13 o o o 5 22 o o o 5 6 o o o 5 14 o o o 6 22 o o o 6 21 o o o 7 20 o - o 8 13 o o o 8 11 o o - 8 14 o o o 9 10 o o + 9 11 o o o 10 15 o o o 11 14 o o o 13 14 o o o 14 18 o + o 16 18 o o o 16 19 o o o 17 18 o o o 17 19 o o o 20 23 o o - 21 22 o o + 
PtZn crystallizes in the triclinic P1 space group. There are twelve inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Zn(10) and one Zn(5) atom. The Pt(1)-Zn(10) bond length is 2.12 Å. The Pt(1)-Zn(5) bond length is 0.98 Å. In the second Pt site, Pt(2) is bonded in a distorted bent 150 degrees geometry to one Pt(3), one Zn(6), and one Zn(9) atom. The Pt(2)-Pt(3) bond length is 1.69 Å. The Pt(2)-Zn(6) bond length is 0.98 Å. The Pt(2)-Zn(9) bond length is 0.94 Å. In the third Pt site, Pt(3) is bonded in a 2-coordinate geometry to one Pt(2), one Pt(7), and one Zn(12) atom. The Pt(3)-Pt(7) bond length is 2.16 Å. The Pt(3)-Zn(12) bond length is 2.12 Å. In the fourth Pt site, Pt(4) is bonded in a single-bond geometry to one Zn(11) atom. The Pt(4)-Zn(11) bond length is 0.94 Å. In the fifth Pt site, Pt(5) is bonded in a 3-coordinate geometry to one Pt(7), one Pt(8), and one Zn(7) atom. The Pt(5)-Pt(7) bond length is 1.44 Å. The Pt(5)-Pt(8) bond length is 1.61 Å. The Pt(5)-Zn(7) bond length is 2.62 Å. In the sixth Pt site, Pt(6) is bonded in a 4-coordinate geometry to one Pt(7), one Pt(8), one Zn(8), and one Zn(9) atom. The Pt(6)-Pt(7) bond length is 1.61 Å. The Pt(6)-Pt(8) bond length is 1.44 Å. The Pt(6)-Zn(8) bond length is 2.62 Å. The Pt(6)-Zn(9) bond length is 2.63 Å. In the seventh Pt site, Pt(7) is bonded in a 5-coordinate geometry to one Pt(3), one Pt(5), one Pt(6), one Zn(12), and one Zn(8) atom. The Pt(7)-Zn(12) bond length is 2.93 Å. The Pt(7)-Zn(8) bond length is 2.82 Å. In the eighth Pt site, Pt(8) is bonded in a 3-coordinate geometry to one Pt(5), one Pt(6), and one Zn(11) atom. The Pt(8)-Zn(11) bond length is 2.23 Å. In the ninth Pt site, Pt(9) is bonded in a single-bond geometry to one Pt(12) and one Zn(8) atom. The Pt(9)-Pt(12) bond length is 1.56 Å. The Pt(9)-Zn(8) bond length is 0.89 Å. In the tenth Pt site, Pt(10) is bonded in a 4-coordinate geometry to one Pt(11), one Zn(10), one Zn(12), and one Zn(7) atom. The Pt(10)-Pt(11) bond length is 1.56 Å. The Pt(10)-Zn(10) bond length is 2.45 Å. The Pt(10)-Zn(12) bond length is 2.41 Å. The Pt(10)-Zn(7) bond length is 2.10 Å. In the eleventh Pt site, Pt(11) is bonded in a single-bond geometry to one Pt(10), one Zn(2), one Zn(6), and one Zn(7) atom. The Pt(11)-Zn(2) bond length is 3.24 Å. The Pt(11)-Zn(6) bond length is 0.89 Å. The Pt(11)-Zn(7) bond length is 2.10 Å. In the twelfth Pt site, Pt(12) is bonded in a 4-coordinate geometry to one Pt(9), one Zn(10), one Zn(12), and one Zn(5) atom. The Pt(12)-Zn(10) bond length is 2.41 Å. The Pt(12)-Zn(12) bond length is 2.45 Å. The Pt(12)-Zn(5) bond length is 2.10 Å. There are twelve inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 3-coordinate geometry to one Zn(2), one Zn(3), and one Zn(4) atom. The Zn(1)-Zn(2) bond length is 1.98 Å. The Zn(1)-Zn(3) bond length is 1.76 Å. The Zn(1)-Zn(4) bond length is 1.72 Å. In the second Zn site, Zn(2) is bonded in a 4-coordinate geometry to one Pt(11), one Zn(1), one Zn(3), and one Zn(4) atom. The Zn(2)-Zn(3) bond length is 1.72 Å. The Zn(2)-Zn(4) bond length is 1.76 Å. In the third Zn site, Zn(3) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one Zn(7) atom. The Zn(3)-Zn(7) bond length is 2.26 Å. In the fourth Zn site, Zn(4) is bonded in a 3-coordinate geometry to one Zn(1), one Zn(2), and one Zn(8) atom. The Zn(4)-Zn(8) bond length is 2.26 Å. In the fifth Zn site, Zn(5) is bonded in a distorted single-bond geometry to one Pt(1) and one Pt(12) atom. In the sixth Zn site, Zn(6) is bonded in a bent 120 degrees geometry to one Pt(11) and one Pt(2) atom. In the seventh Zn site, Zn(7) is bonded in a 2-coordinate geometry to one Pt(10), one Pt(11), one Pt(5), and one Zn(3) atom. In the eighth Zn site, Zn(8) is bonded in a single-bond geometry to one Pt(6), one Pt(7), one Pt(9), and one Zn(4) atom. In the ninth Zn site, Zn(9) is bonded in a single-bond geometry to one Pt(2), one Pt(6), and one Zn(12) atom. The Zn(9)-Zn(12) bond length is 1.56 Å. In the tenth Zn site, Zn(10) is bonded in a 5-coordinate geometry to one Pt(1), one Pt(10), one Pt(12), one Zn(11), and one Zn(12) atom. The Zn(10)-Zn(11) bond length is 1.56 Å. The Zn(10)-Zn(12) bond length is 1.53 Å. In the eleventh Zn site, Zn(11) is bonded in a single-bond geometry to one Pt(4), one Pt(8), and one Zn(10) atom. In the twelfth Zn site, Zn(12) is bonded in a 5-coordinate geometry to one Pt(10), one Pt(12), one Pt(3), one Pt(7), one Zn(10), and one Zn(9) atom.