data_Ca2FeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2FeTc
_chemical_formula_sum   'Ca2 Fe1 Tc1'
_cell_volume   91.17
_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  0.18  1.0
  Ca  Ca1  1  0.61  0.61  0.85  1.0
  Fe  Fe2  1  0.0  0.0  0.01  1.0
  Tc  Tc3  1  0.61  0.61  0.93  1.0

data_Ca2FeTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ca2FeTc
_chemical_formula_sum   'Ca4 Fe2 Tc2'
_cell_volume   182.33
_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  0.18  1.0
  Ca  Ca1  2  0.11  0.5  0.85  1.0
  Fe  Fe2  2  0.0  0.0  0.01  1.0
  Tc  Tc3  2  0.11  0.5  0.93  1.0

Ca Ca Fe Tc
Ca Ca Fe Tc 0 2 o o o 1 3 o o o 
CaTcCaFe crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaFe clusters and two CaTc clusters. In each CaFe cluster, Ca(1) is bonded in a single-bond geometry to one Fe(1) atom. The Ca(1)-Fe(1) bond length is 1.50 Å. Fe(1) is bonded in a distorted single-bond geometry to one Ca(1) atom. In each CaTc cluster, Ca(2) is bonded in a single-bond geometry to one Tc(1) atom. The Ca(2)-Tc(1) bond length is 0.73 Å. Tc(1) is bonded in a single-bond geometry to one Ca(2) atom.