data_Ca2YTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2YTc
_chemical_formula_sum   'Ca2 Y1 Tc1'
_cell_volume   104.8
_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  0.26  0.56  1.0
  Ca  Ca1  1  0.26  0.0  0.56  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.26  0.26  0.0  1.0

data_Ca2YTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2YTc
_chemical_formula_sum   'Ca4 Y2 Tc2'
_cell_volume   209.6
_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  0.13  0.13  0.56  1.0
  Y  Y1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.26  0.0  0.0  1.0

Ca Ca Y Tc
Ca2YTc is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2YTc clusters. Ca(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Tc(1) atom. The Ca(1)-Ca(1) bond length is 1.69 Å. The Ca(1)-Tc(1) bond length is 2.57 Å. Y(1) is bonded in a single-bond geometry to one Tc(1) atom. The Y(1)-Tc(1) bond length is 1.69 Å. Tc(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one Y(1) atom.