data_Ni2SnMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.9
_cell_length_b   2.9
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2SnMo
_chemical_formula_sum   'Ni2 Sn1 Mo1'
_cell_volume   58.06
_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  Ni1  1  0.45  0.45  0.68  1.0
  Ni  Ni2  1  0.45  0.45  0.25  1.0
  Sn  Sn3  1  0.0  0.0  0.46  1.0
  Mo  Mo0  1  0.0  0.0  0.0  1.0

data_Ni2SnMo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   6.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2SnMo
_chemical_formula_sum   'Ni4 Sn2 Mo2'
_cell_volume   116.12
_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  0.45  0.0  0.25  1.0
  Ni  Ni1  2  0.45  0.0  0.68  1.0
  Sn  Sn2  2  0.0  0.0  0.46  1.0
  Mo  Mo3  2  0.0  0.0  0.0  1.0

Ni Ni Sn Mo
Ni Ni Sn Mo 0 2 o o o 0 2 o + o 0 2 + o o 0 2 + + o 0 3 o o + 0 3 o + + 0 3 + o + 0 3 + + + 0 0 + o o 0 0 o + o 0 1 o o o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 2 3 o o o 3 3 + o o 3 3 o + o 
MoNi2Sn crystallizes in the monoclinic Cm space group. Mo(1) is bonded in a 12-coordinate geometry to four equivalent Mo(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. All Mo(1)-Mo(1) bond lengths are 2.90 Å. There are a spread of Mo(1)-Ni(1) bond distances ranging from 2.90-3.19 Å. There are a spread of Mo(1)-Ni(2) bond distances ranging from 2.52-2.84 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 13-coordinate geometry to four equivalent Mo(1), one Ni(2), four equivalent Ni(1), and four equivalent Sn(1) atoms. The Ni(1)-Ni(2) bond length is 2.96 Å. All Ni(1)-Ni(1) bond lengths are 2.90 Å. There are a spread of Ni(1)-Sn(1) bond distances ranging from 2.36-2.70 Å. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to four equivalent Mo(1), one Ni(1), and four equivalent Sn(1) atoms. There are a spread of Ni(2)-Sn(1) bond distances ranging from 2.36-2.70 Å. Sn(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.