data_CaYTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   3.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYTc
_chemical_formula_sum   'Ca1 Y1 Tc1'
_cell_volume   71.08
_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
  Y  Y2  1  0.0  0.84  0.79  1.0
  Tc  Tc1  1  0.46  0.42  0.54  1.0

data_CaYTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaYTc
_chemical_formula_sum   'Ca1 Y1 Tc1'
_cell_volume   71.08
_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  0.05  0.0  0.0  1.0
  Y  Y1  1  0.79  -0.0  0.84  1.0
  Tc  Tc2  1  0.54  0.46  0.42  1.0

Ca Y Tc
CaYTc crystallizes in the triclinic P1 space group. Ca(1) is bonded in a distorted single-bond geometry to one Y(1) and three equivalent Tc(1) atoms. The Ca(1)-Y(1) bond length is 1.15 Å. There are a spread of Ca(1)-Tc(1) bond distances ranging from 2.75-3.22 Å. Y(1) is bonded in a 1-coordinate geometry to one Ca(1) and three equivalent Tc(1) atoms. There are a spread of Y(1)-Tc(1) bond distances ranging from 2.56-3.87 Å. Tc(1) is bonded in a 6-coordinate geometry to three equivalent Ca(1) and three equivalent Y(1) atoms.