data_SmNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNi
_chemical_formula_sum   'Sm2 Ni2'
_cell_volume   106.44
_cell_formula_units_Z   2
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
  Sm  Sm2  1  0.12  0.22  0.01  1.0
  Sm  Sm3  1  0.0  0.44  0.58  1.0
  Ni  Ni0  1  0.12  0.22  0.43  1.0
  Ni  Ni1  1  0.0  0.44  0.86  1.0

data_SmNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNi
_chemical_formula_sum   'Sm2 Ni2'
_cell_volume   106.44
_cell_formula_units_Z   2
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
  Sm  Sm0  1  -0.0  0.44  0.58  1.0
  Sm  Sm1  1  0.12  0.22  0.01  1.0
  Ni  Ni2  1  -0.0  0.44  0.86  1.0
  Ni  Ni3  1  0.12  0.22  0.43  1.0

Sm Sm Ni Ni
SmNi is Wurtzite structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one SmNi cluster. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted single-bond geometry to one Ni(2) atom. The Sm(1)-Ni(2) bond length is 1.63 Å. In the second Sm site, Sm(2) is bonded in a 2-coordinate geometry to one Ni(1) and one Ni(2) atom. The Sm(2)-Ni(1) bond length is 1.63 Å. The Sm(2)-Ni(2) bond length is 1.91 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Sm(2) atom. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Sm(1) and one Sm(2) atom.