data_Mn2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Pt
_chemical_formula_sum   'Mn8 Pt4'
_cell_volume   188.57
_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
  Mn  Mn0  1  0.55  0.42  0.18  1.0
  Mn  Mn1  1  0.55  0.18  0.32  1.0
  Mn  Mn2  1  0.32  0.55  0.18  1.0
  Mn  Mn3  1  0.32  0.32  0.32  1.0
  Mn  Mn4  1  0.42  0.42  0.42  1.0
  Mn  Mn5  1  0.42  0.18  0.55  1.0
  Mn  Mn6  1  0.18  0.55  0.42  1.0
  Mn  Mn7  1  0.18  0.32  0.55  1.0
  Pt  Pt8  1  0.0  0.0  0.0  1.0
  Pt  Pt9  1  0.0  0.87  0.87  1.0
  Pt  Pt10  1  0.87  0.0  0.87  1.0
  Pt  Pt11  1  0.87  0.87  0.0  1.0

data_Mn2Pt
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   9.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Mn2Pt
_chemical_formula_sum   'Mn24 Pt12'
_cell_volume   565.7
_cell_formula_units_Z   12
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
  Mn  Mn0  9  0.03  0.83  0.38  1.0
  Mn  Mn1  9  0.17  0.47  0.02  1.0
  Mn  Mn2  3  0.0  0.0  0.32  1.0
  Mn  Mn3  3  0.0  0.0  0.42  1.0
  Pt  Pt4  9  0.09  0.04  0.91  1.0
  Pt  Pt5  3  0.0  0.0  0.0  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Pt Pt Pt Pt
Mn2Pt crystallizes in the trigonal R3 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(2), and two equivalent Pt(2) atoms. The Mn(1)-Mn(3) bond length is 1.66 Å. The Mn(1)-Mn(4) bond length is 1.55 Å. Both Mn(1)-Mn(2) bond lengths are 1.55 Å. There is one shorter (3.32 Å) and one longer (3.51 Å) Mn(1)-Pt(2) bond length. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one Mn(3), one Mn(4), two equivalent Mn(1), and one Pt(2) atom. The Mn(2)-Mn(3) bond length is 1.55 Å. The Mn(2)-Mn(4) bond length is 1.66 Å. The Mn(2)-Pt(2) bond length is 3.14 Å. In the third Mn site, Mn(3) is bonded in a single-bond geometry to one Mn(4), three equivalent Mn(1), three equivalent Mn(2), and one Pt(1) atom. The Mn(3)-Mn(4) bond length is 1.02 Å. The Mn(3)-Pt(1) bond length is 3.14 Å. In the fourth Mn site, Mn(4) is bonded in a single-bond geometry to one Mn(3), three equivalent Mn(1), and three equivalent Mn(2) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to one Mn(3) and three equivalent Pt(2) atoms. All Pt(1)-Pt(2) bond lengths are 1.08 Å. In the second Pt site, Pt(2) is bonded in a 5-coordinate geometry to one Mn(2), two equivalent Mn(1), one Pt(1), and two equivalent Pt(2) atoms. Both Pt(2)-Pt(2) bond lengths are 1.08 Å.