data_CaMnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.17
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMnTc2
_chemical_formula_sum   'Ca1 Mn1 Tc2'
_cell_volume   68.62
_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  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.6  1.0
  Tc  Tc2  1  0.5  0.59  0.85  1.0
  Tc  Tc3  1  0.5  0.59  0.34  1.0

data_CaMnTc2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.17
_cell_length_b   3.01
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaMnTc2
_chemical_formula_sum   'Ca1 Mn1 Tc2'
_cell_volume   68.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  1.0
  Mn  Mn1  1  0.0  0.0  0.6  1.0
  Tc  Tc2  1  0.59  0.5  0.34  1.0
  Tc  Tc3  1  0.59  0.5  0.85  1.0

Ca Mn Tc Tc
CaTc2Mn crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 4-coordinate geometry to four equivalent Tc(1), four equivalent Tc(2), and one Mn(1) atom. There are a spread of Ca(1)-Tc(1) bond distances ranging from 2.27-2.64 Å. There are a spread of Ca(1)-Tc(2) bond distances ranging from 3.17-3.45 Å. The Ca(1)-Mn(1) bond length is 2.91 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Mn(1) atoms. There are a spread of Tc(1)-Mn(1) bond distances ranging from 2.69-3.00 Å. In the second Tc site, Tc(2) is bonded in a 12-coordinate geometry to four equivalent Ca(1), four equivalent Tc(2), and four equivalent Mn(1) atoms. There are two shorter (3.01 Å) and two longer (3.17 Å) Tc(2)-Tc(2) bond lengths. There are a spread of Tc(2)-Mn(1) bond distances ranging from 2.69-3.00 Å. Mn(1) is bonded in a 9-coordinate geometry to one Ca(1), four equivalent Tc(1), and four equivalent Tc(2) atoms.