data_Ni2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2PtSe
_chemical_formula_sum   'Ni2 Pt1 Se1'
_cell_volume   54.41
_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  0.48  0.48  0.41  1.0
  Ni  Ni1  1  0.48  0.48  0.79  1.0
  Pt  Pt2  1  0.0  0.0  0.1  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Ni2PtSe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   6.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2PtSe
_chemical_formula_sum   'Ni4 Pt2 Se2'
_cell_volume   108.83
_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  0.48  0.0  0.41  1.0
  Ni  Ni1  2  0.48  0.0  0.79  1.0
  Pt  Pt2  2  0.0  0.0  0.1  1.0
  Se  Se3  2  0.0  0.0  0.0  1.0

Ni Ni Pt Se
Ni Ni Pt Se 0 3 o o o 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 0 + o o 0 0 o + o 0 1 o o o 1 3 o o + 1 3 o + + 1 3 + o + 1 3 + + + 1 2 o o + 1 2 o + + 1 2 + o + 1 2 + + + 1 1 + o o 1 1 o + o 2 3 o o o 
PtNi2Se crystallizes in the monoclinic Cm space group. Pt(1) is bonded in a single-bond geometry to four equivalent Ni(1) and one Se(1) atom. There are a spread of Pt(1)-Ni(1) bond distances ranging from 2.79-2.91 Å. The Pt(1)-Se(1) bond length is 0.63 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 9-coordinate geometry to four equivalent Pt(1), one Ni(2), and four equivalent Ni(1) atoms. The Ni(1)-Ni(2) bond length is 2.34 Å. All Ni(1)-Ni(1) bond lengths are 2.96 Å. In the second Ni site, Ni(2) is bonded in a 5-coordinate geometry to one Ni(1) and four equivalent Se(1) atoms. There are a spread of Ni(2)-Se(1) bond distances ranging from 2.40-2.53 Å. Se(1) is bonded in a single-bond geometry to one Pt(1) and four equivalent Ni(2) atoms.