data_Mg2NiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2NiTe
_chemical_formula_sum   'Mg2 Ni1 Te1'
_cell_volume   81.96
_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  0.06  1.0
  Mg  Mg1  1  0.66  0.66  0.14  1.0
  Ni  Ni2  1  0.0  0.0  0.79  1.0
  Te  Te3  1  0.66  0.66  0.1  1.0

data_Mg2NiTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   7.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mg2NiTe
_chemical_formula_sum   'Mg4 Ni2 Te2'
_cell_volume   163.92
_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
  Mg  Mg0  2  0.0  0.0  0.06  1.0
  Mg  Mg1  2  0.16  0.5  0.14  1.0
  Ni  Ni2  2  0.0  0.0  0.79  1.0
  Te  Te3  2  0.16  0.5  0.1  1.0

Mg Mg Ni Te
Mg Mg Ni Te 0 3 - - o 0 1 - - o 0 2 o o - 1 3 o o o 
Mg2NiTe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Mg2NiTe clusters. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 2-coordinate geometry to one Ni(1) and one Te(1) atom. The Mg(1)-Ni(1) bond length is 2.05 Å. The Mg(1)-Te(1) bond length is 1.60 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Te(1) atom. The Mg(2)-Te(1) bond length is 0.32 Å. Ni(1) is bonded in a single-bond geometry to one Mg(1) atom. Te(1) is bonded in a single-bond geometry to one Mg(1) and one Mg(2) atom.