data_MgZnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   2.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   99.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnNi2
_chemical_formula_sum   'Mg1 Zn1 Ni2'
_cell_volume   51.48
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn3  1  0.78  0.0  0.0  1.0
  Ni  Ni1  1  0.39  0.64  0.41  1.0
  Ni  Ni2  1  0.39  0.36  0.41  1.0

data_MgZnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.3
_cell_length_c   4.3
_cell_angle_alpha   99.52
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZnNi2
_chemical_formula_sum   'Mg1 Zn1 Ni2'
_cell_volume   51.48
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.0  0.78  0.0  1.0
  Ni  Ni2  1  0.41  0.39  0.36  1.0
  Ni  Ni3  1  0.41  0.39  0.64  1.0

Mg Zn Ni Ni
Mg Zn Ni Ni 0 1 - o o 2 3 o o o 
MgNi2Zn crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted single-bond geometry to one Ni(2), two equivalent Ni(1), and one Zn(1) atom. The Mg(1)-Ni(2) bond length is 2.38 Å. There is one shorter (2.71 Å) and one longer (2.97 Å) Mg(1)-Ni(1) bond length. The Mg(1)-Zn(1) bond length is 0.95 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Ni(2), and two equivalent Zn(1) atoms. The Ni(1)-Ni(2) bond length is 1.22 Å. There is one shorter (2.38 Å) and one longer (2.66 Å) Ni(1)-Zn(1) bond length. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Mg(1) and one Ni(1) atom. Zn(1) is bonded in a distorted single-bond geometry to one Mg(1) and two equivalent Ni(1) atoms.