data_MnNiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   4.62
_cell_length_c   3.23
_cell_angle_alpha   92.36
_cell_angle_beta   92.36
_cell_angle_gamma   91.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNiTe2
_chemical_formula_sum   'Mn1 Ni1 Te2'
_cell_volume   68.72
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.22  0.0  0.0  1.0
  Te  Te2  1  0.52  0.35  0.61  1.0
  Te  Te3  1  0.52  0.65  0.61  1.0

data_MnNiTe2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.23
_cell_length_b   4.62
_cell_length_c   4.62
_cell_angle_alpha   90.0
_cell_angle_beta   92.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MnNiTe2
_chemical_formula_sum   'Mn1 Ni1 Te2'
_cell_volume   68.8
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.0  0.0  0.22  1.0
  Te  Te2  2  0.61  0.35  0.52  1.0

Mn Ni Te Te
MnNiTe2 crystallizes in the monoclinic Pm space group. Mn(1) is bonded in a single-bond geometry to one Ni(1) and two equivalent Te(1) atoms. The Mn(1)-Ni(1) bond length is 1.04 Å. Both Mn(1)-Te(1) bond lengths are 2.98 Å. Ni(1) is bonded in a distorted single-bond geometry to one Mn(1) and four equivalent Te(1) atoms. There are two shorter (2.47 Å) and two longer (2.83 Å) Ni(1)-Te(1) bond lengths. Te(1) is bonded in a 4-coordinate geometry to one Mn(1), two equivalent Ni(1), and one Te(1) atom. The Te(1)-Te(1) bond length is 1.43 Å.