data_MoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   8.37
_cell_length_c   8.37
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MoPt2
_chemical_formula_sum   'Mo8 Pt16'
_cell_volume   415.01
_cell_formula_units_Z   8
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
  Mo  Mo0  1  0.72  0.72  0.72  1.0
  Mo  Mo1  1  0.04  0.04  0.72  1.0
  Mo  Mo2  1  0.04  0.72  0.04  1.0
  Mo  Mo3  1  0.72  0.04  0.04  1.0
  Mo  Mo4  1  0.08  0.08  0.08  1.0
  Mo  Mo5  1  0.76  0.76  0.08  1.0
  Mo  Mo6  1  0.76  0.08  0.76  1.0
  Mo  Mo7  1  0.08  0.76  0.76  1.0
  Pt  Pt8  1  0.48  0.44  0.44  1.0
  Pt  Pt9  1  0.44  0.48  0.44  1.0
  Pt  Pt10  1  0.44  0.44  0.48  1.0
  Pt  Pt11  1  0.48  0.48  0.48  1.0
  Pt  Pt12  1  0.92  0.92  0.43  1.0
  Pt  Pt13  1  0.92  0.43  0.92  1.0
  Pt  Pt14  1  0.43  0.92  0.92  1.0
  Pt  Pt15  1  0.41  0.92  0.92  1.0
  Pt  Pt16  1  0.92  0.41  0.92  1.0
  Pt  Pt17  1  0.92  0.92  0.41  1.0
  Pt  Pt18  1  0.88  0.88  0.37  1.0
  Pt  Pt19  1  0.88  0.37  0.88  1.0
  Pt  Pt20  1  0.37  0.88  0.88  1.0
  Pt  Pt21  1  0.39  0.88  0.88  1.0
  Pt  Pt22  1  0.88  0.39  0.88  1.0
  Pt  Pt23  1  0.88  0.88  0.39  1.0

data_MoPt2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.37
_cell_length_b   8.37
_cell_length_c   20.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   MoPt2
_chemical_formula_sum   'Mo24 Pt48'
_cell_volume   1245.04
_cell_formula_units_Z   24
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  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+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
  Mo  Mo0  9  0.11  0.22  0.13  1.0
  Mo  Mo1  9  0.22  0.11  0.07  1.0
  Mo  Mo2  3  0.0  0.0  0.28  1.0
  Mo  Mo3  3  0.0  0.0  0.92  1.0
  Pt  Pt4  9  0.01  0.5  0.62  1.0
  Pt  Pt5  9  0.01  0.5  0.58  1.0
  Pt  Pt6  9  0.01  0.03  0.55  1.0
  Pt  Pt7  9  0.17  0.34  0.95  1.0
  Pt  Pt8  9  0.17  0.34  0.91  1.0
  Pt  Pt9  3  0.0  0.0  0.52  1.0

Mo Mo Mo Mo Mo Mo Mo Mo Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt Pt
Pt2Mo crystallizes in the trigonal R3m space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted hexagonal planar geometry to three equivalent Pt(3) and three equivalent Pt(6) atoms. All Mo(1)-Pt(3) bond lengths are 2.50 Å. All Mo(1)-Pt(6) bond lengths are 2.37 Å. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to two equivalent Mo(2), two equivalent Mo(4), and two equivalent Pt(5) atoms. Both Mo(2)-Mo(2) bond lengths are 2.72 Å. Both Mo(2)-Mo(4) bond lengths are 2.10 Å. Both Mo(2)-Pt(5) bond lengths are 3.06 Å. In the third Mo site, Mo(3) is bonded in a distorted hexagonal planar geometry to three equivalent Pt(4) and three equivalent Pt(5) atoms. All Mo(3)-Pt(4) bond lengths are 2.37 Å. All Mo(3)-Pt(5) bond lengths are 2.50 Å. In the fourth Mo site, Mo(4) is bonded in a 7-coordinate geometry to two equivalent Mo(2), two equivalent Mo(4), one Pt(2), and two equivalent Pt(3) atoms. Both Mo(4)-Mo(4) bond lengths are 2.72 Å. The Mo(4)-Pt(2) bond length is 3.44 Å. Both Mo(4)-Pt(3) bond lengths are 3.06 Å. There are six inequivalent Pt sites. In the first Pt site, Pt(5) is bonded in a single-bond geometry to one Mo(3), two equivalent Mo(2), and one Pt(6) atom. The Pt(5)-Pt(6) bond length is 0.17 Å. In the second Pt site, Pt(6) is bonded in a distorted bent 150 degrees geometry to one Mo(1), one Pt(4), and one Pt(5) atom. The Pt(6)-Pt(4) bond length is 0.69 Å. In the third Pt site, Pt(1) is bonded in a 3-coordinate geometry to one Pt(2) and two equivalent Pt(1) atoms. The Pt(1)-Pt(2) bond length is 0.58 Å. Both Pt(1)-Pt(1) bond lengths are 0.33 Å. In the fourth Pt site, Pt(2) is bonded in a 3-coordinate geometry to three equivalent Mo(4) and three equivalent Pt(1) atoms. In the fifth Pt site, Pt(3) is bonded in a single-bond geometry to one Mo(1), two equivalent Mo(4), and one Pt(4) atom. The Pt(3)-Pt(4) bond length is 0.17 Å. In the sixth Pt site, Pt(4) is bonded in a distorted bent 150 degrees geometry to one Mo(3), one Pt(3), and one Pt(6) atom.