data_CaFeTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeTc
_chemical_formula_sum   'Ca1 Fe1 Tc1'
_cell_volume   52.95
_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  0.05  1.0
  Fe  Fe1  1  0.0  0.75  0.5  1.0
  Tc  Tc2  1  0.51  0.87  0.12  1.0

data_CaFeTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   3.03
_cell_length_c   6.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaFeTc
_chemical_formula_sum   'Ca1 Fe1 Tc1'
_cell_volume   52.95
_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  0.05  1.0
  Fe  Fe1  1  -0.0  0.75  0.5  1.0
  Tc  Tc2  1  0.51  0.87  0.12  1.0

Ca Fe Tc
Ca Fe Tc 0 2 - - o 0 1 o - o 1 2 - - o 1 2 - o o 1 2 o o o 1 1 + + o 1 1 o + o 1 1 + o o 
CaTcFe crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 3-coordinate geometry to three equivalent Tc(1) and two equivalent Fe(1) atoms. There are a spread of Ca(1)-Tc(1) bond distances ranging from 1.39-2.34 Å. There is one shorter (3.10 Å) and one longer (3.75 Å) Ca(1)-Fe(1) bond length. Tc(1) is bonded in a 3-coordinate geometry to three equivalent Ca(1) and three equivalent Fe(1) atoms. There are a spread of Tc(1)-Fe(1) bond distances ranging from 2.94-3.46 Å. Fe(1) is bonded in a 11-coordinate geometry to two equivalent Ca(1), three equivalent Tc(1), and six equivalent Fe(1) atoms. All Fe(1)-Fe(1) bond lengths are 3.03 Å.