data_Fe6HgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   10.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6HgPt
_chemical_formula_sum   'Fe24 Hg4 Pt4'
_cell_volume   430.64
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.77  0.3  0.05  1.0
  Fe  Fe1  1  0.84  0.66  0.37  1.0
  Fe  Fe2  1  0.71  0.34  0.37  1.0
  Fe  Fe3  1  0.77  0.7  0.05  1.0
  Fe  Fe4  1  0.71  0.66  0.37  1.0
  Fe  Fe5  1  0.84  0.34  0.37  1.0
  Fe  Fe6  1  0.0  0.0  0.33  1.0
  Fe  Fe7  1  0.69  0.33  0.7  1.0
  Fe  Fe8  1  0.69  0.67  0.7  1.0
  Fe  Fe9  1  0.77  0.3  0.62  1.0
  Fe  Fe10  1  0.85  0.67  0.96  1.0
  Fe  Fe11  1  0.69  0.33  0.96  1.0
  Fe  Fe12  1  0.77  0.7  0.62  1.0
  Fe  Fe13  1  0.69  0.67  0.96  1.0
  Fe  Fe14  1  0.85  0.33  0.96  1.0
  Fe  Fe15  1  0.0  0.0  0.0  1.0
  Fe  Fe16  1  0.71  0.34  0.3  1.0
  Fe  Fe17  1  0.71  0.66  0.3  1.0
  Fe  Fe18  1  0.77  0.0  0.33  1.0
  Fe  Fe19  1  0.85  0.33  0.7  1.0
  Fe  Fe20  1  0.85  0.67  0.7  1.0
  Fe  Fe21  1  0.77  0.0  0.0  1.0
  Fe  Fe22  1  0.84  0.34  0.3  1.0
  Fe  Fe23  1  0.84  0.66  0.3  1.0
  Hg  Hg24  1  0.77  0.35  0.33  1.0
  Hg  Hg25  1  0.77  0.65  0.33  1.0
  Hg  Hg26  1  0.77  0.0  0.02  1.0
  Hg  Hg27  1  0.77  0.0  0.65  1.0
  Pt  Pt28  1  0.77  0.38  0.0  1.0
  Pt  Pt29  1  0.77  0.62  0.0  1.0
  Pt  Pt30  1  0.0  0.0  0.02  1.0
  Pt  Pt31  1  0.0  0.0  0.65  1.0

data_Fe6HgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.55
_cell_length_b   6.55
_cell_length_c   10.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe6HgPt
_chemical_formula_sum   'Fe24 Hg4 Pt4'
_cell_volume   430.64
_cell_formula_units_Z   4
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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.0  0.0  0.33  1.0
  Fe  Fe2  1  0.69  0.33  0.7  1.0
  Fe  Fe3  1  0.69  0.33  0.96  1.0
  Fe  Fe4  1  0.69  0.67  0.7  1.0
  Fe  Fe5  1  0.69  0.67  0.96  1.0
  Fe  Fe6  1  0.71  0.34  0.3  1.0
  Fe  Fe7  1  0.71  0.34  0.37  1.0
  Fe  Fe8  1  0.71  0.66  0.3  1.0
  Fe  Fe9  1  0.71  0.66  0.37  1.0
  Fe  Fe10  1  0.77  0.0  -0.0  1.0
  Fe  Fe11  1  0.77  0.0  0.33  1.0
  Fe  Fe12  1  0.77  0.3  0.05  1.0
  Fe  Fe13  1  0.77  0.3  0.62  1.0
  Fe  Fe14  1  0.77  0.7  0.05  1.0
  Fe  Fe15  1  0.77  0.7  0.62  1.0
  Fe  Fe16  1  0.84  0.34  0.3  1.0
  Fe  Fe17  1  0.84  0.34  0.37  1.0
  Fe  Fe18  1  0.84  0.66  0.3  1.0
  Fe  Fe19  1  0.84  0.66  0.37  1.0
  Fe  Fe20  1  0.85  0.33  0.7  1.0
  Fe  Fe21  1  0.85  0.33  0.96  1.0
  Fe  Fe22  1  0.85  0.67  0.7  1.0
  Fe  Fe23  1  0.85  0.67  0.96  1.0
  Hg  Hg24  1  0.77  0.0  0.02  1.0
  Hg  Hg25  1  0.77  0.0  0.65  1.0
  Hg  Hg26  1  0.77  0.35  0.33  1.0
  Hg  Hg27  1  0.77  0.65  0.33  1.0
  Pt  Pt28  1  0.0  0.0  0.02  1.0
  Pt  Pt29  1  0.0  0.0  0.65  1.0
  Pt  Pt30  1  0.77  0.38  -0.0  1.0
  Pt  Pt31  1  0.77  0.62  -0.0  1.0

Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Fe Hg Hg Hg Hg Pt Pt Pt Pt
(Fe)2(Fe3Pt)2FePtFe6PtHg(Fe4Hg)2FeHg crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one 12186-46-8 molecule, one iron molecule, one iron;mercury molecule, two Fe3Pt clusters, two Fe4Hg clusters, and one Fe6PtHg cluster. In each Fe3Pt cluster, there are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Pt(1,2) atom. The Fe(1)-Pt(1,2) bond length is 0.72 Å. In the second Fe site, Fe(12) is bonded in a single-bond geometry to one Pt(1,2) atom. The Fe(12)-Pt(1,2) bond length is 0.65 Å. In the third Fe site, Fe(15) is bonded in a single-bond geometry to one Pt(1,2) atom. The Fe(15)-Pt(1,2) bond length is 0.82 Å. Pt(1,2) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(12), and one Fe(15) atom. In each Fe4Hg cluster, there are two inequivalent Fe sites. In the first Fe site, Fe(2,24) is bonded in a single-bond geometry to one Hg(2) atom. The Fe(2,24)-Hg(2) bond length is 0.56 Å. In the second Fe site, Fe(5,18) is bonded in a single-bond geometry to one Hg(2) atom. The Fe(5,18)-Hg(2) bond length is 0.59 Å. Hg(2) is bonded in a square co-planar geometry to two equivalent Fe(2,24) and two equivalent Fe(5,18) atoms. In the Fe6PtHg cluster, there are six inequivalent Fe sites. In the first Fe site, Fe(8) is bonded in a 2-coordinate geometry to one Fe(10) and one Fe(20) atom. The Fe(8)-Fe(10) bond length is 1.06 Å. The Fe(8)-Fe(20) bond length is 1.06 Å. In the second Fe site, Fe(9) is bonded in a 2-coordinate geometry to one Fe(13) and one Fe(21) atom. The Fe(9)-Fe(13) bond length is 0.99 Å. The Fe(9)-Fe(21) bond length is 1.06 Å. In the third Fe site, Fe(10) is bonded in a 3-coordinate geometry to one Fe(20), one Fe(8), and one Hg(4) atom. The Fe(10)-Fe(20) bond length is 0.99 Å. The Fe(10)-Hg(4) bond length is 1.99 Å. In the fourth Fe site, Fe(13) is bonded in a 4-coordinate geometry to one Fe(21), one Fe(9), one Pt(4), and one Hg(4) atom. The Fe(13)-Fe(21) bond length is 1.06 Å. The Fe(13)-Pt(4) bond length is 2.06 Å. The Fe(13)-Hg(4) bond length is 1.99 Å. In the fifth Fe site, Fe(20) is bonded in a 2-coordinate geometry to one Fe(10) and one Fe(8) atom. In the sixth Fe site, Fe(21) is bonded in a 2-coordinate geometry to one Fe(13) and one Fe(9) atom. Pt(4) is bonded in a distorted single-bond geometry to one Fe(13) and one Hg(4) atom. The Pt(4)-Hg(4) bond length is 1.49 Å. Hg(4) is bonded in a distorted single-bond geometry to one Fe(10), one Fe(13), and one Pt(4) atom.