data_Ca2YTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   9.12
_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   117.73
_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  0.8  0.8  0.97  1.0
  Ca  Ca1  1  0.0  0.0  0.91  1.0
  Y  Y3  1  0.0  0.0  0.14  1.0
  Tc  Tc2  1  0.8  0.8  0.78  1.0

data_Ca2YTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   9.12
_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   235.45
_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  0.91  1.0
  Ca  Ca1  2  0.3  0.5  0.97  1.0
  Y  Y2  2  0.0  0.0  0.14  1.0
  Tc  Tc3  2  0.3  0.5  0.78  1.0

Ca Ca Y Tc
Ca2YTc crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Ca2YTc clusters. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 3-coordinate geometry to one Ca(2), one Y(1), and one Tc(1) atom. The Ca(1)-Ca(2) bond length is 1.16 Å. The Ca(1)-Y(1) bond length is 1.90 Å. The Ca(1)-Tc(1) bond length is 1.72 Å. In the second Ca site, Ca(2) is bonded in a 2-coordinate geometry to one Ca(1), one Y(1), and one Tc(1) atom. The Ca(2)-Y(1) bond length is 2.11 Å. The Ca(2)-Tc(1) bond length is 1.58 Å. Y(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Ca(2) atom. Tc(1) is bonded in a 2-coordinate geometry to one Ca(1) and one Ca(2) atom.