data_Ca2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   131.13
_cell_angle_beta   131.13
_cell_angle_gamma   71.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2TcNi
_chemical_formula_sum   'Ca2 Tc1 Ni1'
_cell_volume   80.84
_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  0.18  0.13  1.0
  Ca  Ca1  1  0.18  0.0  0.13  1.0
  Tc  Tc3  1  0.0  0.0  0.27  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0

data_Ca2TcNi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   5.26
_cell_angle_alpha   90.0
_cell_angle_beta   125.8
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2TcNi
_chemical_formula_sum   'Ca4 Tc2 Ni2'
_cell_volume   161.68
_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  4  0.41  0.41  0.96  1.0
  Tc  Tc1  2  0.0  0.0  0.27  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0

Ca Ca Tc Ni
Ca2TcNi crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2TcNi clusters. Ca(1) is bonded in a single-bond geometry to one Tc(1) and one Ni(1) atom. The Ca(1)-Tc(1) bond length is 1.49 Å. The Ca(1)-Ni(1) bond length is 0.70 Å. Tc(1) is bonded in a 2-coordinate geometry to two equivalent Ca(1) atoms. Ni(1) is bonded in a water-like geometry to two equivalent Ca(1) atoms.