data_CaY2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.8
_cell_length_b   3.8
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaY2Tc
_chemical_formula_sum   'Ca1 Y2 Tc1'
_cell_volume   114.6
_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  0.36  1.0
  Y  Y2  1  0.0  0.0  0.49  1.0
  Y  Y3  1  0.9  0.9  0.56  1.0
  Tc  Tc1  1  0.9  0.9  0.46  1.0

data_CaY2Tc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   7.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaY2Tc
_chemical_formula_sum   'Ca2 Y4 Tc2'
_cell_volume   229.2
_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  0.36  1.0
  Y  Y1  2  0.0  0.0  0.49  1.0
  Y  Y2  2  0.4  0.5  0.56  1.0
  Tc  Tc3  2  0.4  0.5  0.46  1.0

Ca Y Y Tc
Ca Y Y Tc 0 3 - - o 0 1 o o o 1 3 - - o 1 2 - - o 2 3 o o o 
CaY2Tc crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaY2Tc clusters. Ca(1) is bonded in a 2-coordinate geometry to one Y(1) and one Tc(1) atom. The Ca(1)-Y(1) bond length is 1.10 Å. The Ca(1)-Tc(1) bond length is 1.00 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a single-bond geometry to one Ca(1) and one Tc(1) atom. The Y(1)-Tc(1) bond length is 0.61 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Tc(1) atom. The Y(2)-Tc(1) bond length is 0.79 Å. Tc(1) is bonded in a distorted single-bond geometry to one Ca(1), one Y(1), and one Y(2) atom.