data_NiMo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.13
_cell_length_b   9.13
_cell_length_c   9.13
_cell_angle_alpha   17.28
_cell_angle_beta   17.28
_cell_angle_gamma   17.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiMo2Pt
_chemical_formula_sum   'Ni1 Mo2 Pt1'
_cell_volume   58.64
_cell_formula_units_Z   1
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
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.14  1.0
  Mo  Mo1  1  0.0  0.0  0.84  1.0
  Pt  Pt3  1  0.0  0.0  0.49  1.0

data_NiMo2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   2.74
_cell_length_c   9.13
_cell_angle_alpha   90.0
_cell_angle_beta   99.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NiMo2Pt
_chemical_formula_sum   'Ni2 Mo4 Pt2'
_cell_volume   117.27
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ni  Ni0  2  0.0  0.0  0.0  1.0
  Mo  Mo1  2  0.0  0.0  0.16  1.0
  Mo  Mo2  2  0.0  0.0  0.86  1.0
  Pt  Pt3  2  0.0  0.0  0.51  1.0

Ni Mo Mo Pt
Ni Mo Mo Pt 0 2 o o - 0 1 o o o 1 3 o o o 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
Mo2PtNi crystallizes in the monoclinic Cm space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a single-bond geometry to one Pt(1) and one Ni(1) atom. The Mo(1)-Pt(1) bond length is 3.23 Å. The Mo(1)-Ni(1) bond length is 1.24 Å. In the second Mo site, Mo(2) is bonded in a single-bond geometry to one Pt(1) and one Ni(1) atom. The Mo(2)-Pt(1) bond length is 3.23 Å. The Mo(2)-Ni(1) bond length is 1.43 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded to one Mo(1); one Mo(2); and six Pt(1,1) atoms to form a mixture of corner and edge-sharing PtMo2Pt6 hexagonal bipyramids. All Pt(1)-Pt(1,1) bond lengths are 2.74 Å. In the second Pt site, Pt(1) is bonded to one Mo(1); one Mo(2); and six Pt(1,1) atoms to form a mixture of corner and edge-sharing PtMo2Pt6 hexagonal bipyramids. The Pt(1)-Mo(1) bond length is 3.23 Å. The Pt(1)-Mo(2) bond length is 3.23 Å. Both Pt(1)-Pt(1) bond lengths are 2.74 Å. Ni(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom.