data_NaMgNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   4.06
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   101.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgNi2
_chemical_formula_sum   'Na1 Mg1 Ni2'
_cell_volume   65.8
_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
  Na  Na1  1  0.79  0.0  0.51  1.0
  Mg  Mg0  1  0.86  0.03  0.43  1.0
  Ni  Ni2  1  0.48  0.03  0.29  1.0
  Ni  Ni3  1  0.12  0.0  0.42  1.0

data_NaMgNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   4.06
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   101.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMgNi2
_chemical_formula_sum   'Na1 Mg1 Ni2'
_cell_volume   65.8
_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
  Na  Na0  1  0.79  0.0  0.51  1.0
  Mg  Mg1  1  0.86  0.03  0.43  1.0
  Ni  Ni2  1  0.12  0.0  0.42  1.0
  Ni  Ni3  1  0.48  0.03  0.29  1.0

Na Mg Ni Ni
NaMgNi2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one NaMgNi2 cluster. Na(1) is bonded in a single-bond geometry to one Mg(1) atom. The Na(1)-Mg(1) bond length is 0.52 Å. Mg(1) is bonded in a 3-coordinate geometry to one Na(1), one Ni(1), and one Ni(2) atom. The Mg(1)-Ni(1) bond length is 1.21 Å. The Mg(1)-Ni(2) bond length is 0.75 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Mg(1) atom. In the second Ni site, Ni(2) is bonded in a single-bond geometry to one Mg(1) atom.