data_Ni2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   4.03
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2Pt
_chemical_formula_sum   'Ni2 Pt1'
_cell_volume   46.2
_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  Ni0  1  0.27  0.27  0.27  1.0
  Ni  Ni1  1  0.42  0.42  0.42  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0

data_Ni2Pt
_symmetry_space_group_name_H-M   R3m
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   9.87
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Ni2Pt
_chemical_formula_sum   'Ni6 Pt3'
_cell_volume   138.61
_cell_formula_units_Z   3
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
  Ni  Ni0  3  0.0  0.0  0.58  1.0
  Ni  Ni1  3  0.0  0.0  0.73  1.0
  Pt  Pt2  3  0.0  0.0  0.0  1.0

Ni Ni Pt
Ni Ni Pt 0 1 o o o 0 2 + o o 0 2 o + o 0 2 o o + 0 2 o o o 1 2 + o o 1 2 o + o 1 2 o o + 
PtNi2 crystallizes in the trigonal R3m space group. Pt(1) is bonded in a 7-coordinate geometry to three equivalent Ni(2) and four equivalent Ni(1) atoms. All Pt(1)-Ni(2) bond lengths are 2.49 Å. There are three shorter (2.40 Å) and one longer (2.68 Å) Pt(1)-Ni(1) bond length. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to four equivalent Pt(1) and one Ni(2) atom. The Ni(1)-Ni(2) bond length is 1.50 Å. In the second Ni site, Ni(2) is bonded in a 4-coordinate geometry to three equivalent Pt(1) and one Ni(1) atom.