data_CaTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaTcNi2
_chemical_formula_sum   'Ca1 Tc1 Ni2'
_cell_volume   60.48
_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
  Ca  Ca0  1  0.0  0.0  0.92  1.0
  Tc  Tc3  1  0.4  0.4  0.44  1.0
  Ni  Ni1  1  0.4  0.4  0.38  1.0
  Ni  Ni2  1  0.0  0.0  0.84  1.0

data_CaTcNi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   7.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaTcNi2
_chemical_formula_sum   'Ca2 Tc2 Ni4'
_cell_volume   120.95
_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
  Ca  Ca0  2  0.0  0.0  0.92  1.0
  Tc  Tc1  2  0.4  0.0  0.44  1.0
  Ni  Ni2  2  0.0  0.0  0.84  1.0
  Ni  Ni3  2  0.4  0.0  0.38  1.0

Ca Tc Ni Ni
CaNiTcNi is Cubic alpha N2-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaNi clusters and two TcNi clusters. In each CaNi cluster, Ca(1) is bonded in a single-bond geometry to one Ni(2) atom. The Ca(1)-Ni(2) bond length is 0.68 Å. Ni(2) is bonded in a single-bond geometry to one Ca(1) atom. In each TcNi cluster, Tc(1) is bonded in a single-bond geometry to one Ni(1) atom. The Tc(1)-Ni(1) bond length is 0.47 Å. Ni(1) is bonded in a single-bond geometry to one Tc(1) atom.