data_MgPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63
_cell_length_b   7.63
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPt2
_chemical_formula_sum   'Mg3 Pt6'
_cell_volume   142.28
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.0  0.41  0.41  1.0
  Mg  Mg2  1  0.82  0.2  0.41  1.0
  Pt  Pt3  1  0.29  0.0  0.41  1.0
  Pt  Pt4  1  0.85  0.99  0.41  1.0
  Pt  Pt5  1  0.67  0.62  0.41  1.0
  Pt  Pt6  1  0.85  0.0  0.0  1.0
  Pt  Pt7  1  0.58  0.2  0.0  1.0
  Pt  Pt8  1  0.39  0.41  0.0  1.0

data_MgPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   7.63
_cell_length_c   7.63
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPt2
_chemical_formula_sum   'Mg3 Pt6'
_cell_volume   142.28
_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  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.41  0.0  0.41  1.0
  Mg  Mg2  1  0.41  0.82  0.2  1.0
  Pt  Pt3  1  -0.0  0.39  0.41  1.0
  Pt  Pt4  1  -0.0  0.85  0.0  1.0
  Pt  Pt5  1  -0.0  0.58  0.2  1.0
  Pt  Pt6  1  0.41  0.29  0.0  1.0
  Pt  Pt7  1  0.41  0.67  0.62  1.0
  Pt  Pt8  1  0.41  0.85  0.99  1.0

Mg Mg Mg Pt Pt Pt Pt Pt Pt
MgPt2 crystallizes in the triclinic P1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Pt(1), one Pt(4), one Pt(6), and two equivalent Pt(2) atoms. The Mg(1)-Pt(1) bond length is 2.52 Å. The Mg(1)-Pt(4) bond length is 1.16 Å. The Mg(1)-Pt(6) bond length is 3.08 Å. There is one shorter (1.57 Å) and one longer (1.98 Å) Mg(1)-Pt(2) bond length. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Mg(3) and two equivalent Pt(6) atoms. The Mg(2)-Mg(3) bond length is 1.48 Å. There is one shorter (3.19 Å) and one longer (3.41 Å) Mg(2)-Pt(6) bond length. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to one Mg(2), one Pt(2), two equivalent Pt(4), and two equivalent Pt(5) atoms. The Mg(3)-Pt(2) bond length is 1.82 Å. There is one shorter (2.04 Å) and one longer (2.37 Å) Mg(3)-Pt(4) bond length. There is one shorter (2.15 Å) and one longer (2.46 Å) Mg(3)-Pt(5) bond length. There are six inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 1-coordinate geometry to one Mg(1) atom. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to one Mg(3), two equivalent Mg(1), one Pt(3), and two equivalent Pt(4) atoms. The Pt(2)-Pt(3) bond length is 2.39 Å. There is one shorter (1.16 Å) and one longer (1.67 Å) Pt(2)-Pt(4) bond length. In the third Pt site, Pt(3) is bonded in a 3-coordinate geometry to one Pt(2) and two equivalent Pt(6) atoms. There is one shorter (2.24 Å) and one longer (2.54 Å) Pt(3)-Pt(6) bond length. In the fourth Pt site, Pt(4) is bonded in a distorted single-bond geometry to one Mg(1), two equivalent Mg(3), and two equivalent Pt(2) atoms. In the fifth Pt site, Pt(5) is bonded in a 2-coordinate geometry to two equivalent Mg(3) and one Pt(6) atom. The Pt(5)-Pt(6) bond length is 2.63 Å. In the sixth Pt site, Pt(6) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), one Pt(5), two equivalent Pt(3), and two equivalent Pt(6) atoms. Both Pt(6)-Pt(6) bond lengths are 2.82 Å.