data_YMnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMnTc2
_chemical_formula_sum   'Y1 Mn1 Tc2'
_cell_volume   67.04
_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
  Y  Y3  1  0.0  0.0  0.52  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.54  0.54  0.31  1.0
  Tc  Tc2  1  0.54  0.54  0.72  1.0

data_YMnTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YMnTc2
_chemical_formula_sum   'Y2 Mn2 Tc4'
_cell_volume   134.08
_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
  Y  Y0  2  0.0  0.0  0.52  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.04  0.5  0.31  1.0
  Tc  Tc3  2  0.04  0.5  0.72  1.0

Y Mn Tc Tc
YTc2Mn crystallizes in the monoclinic Cm space group. Y(1) is bonded in a distorted body-centered cubic geometry to four equivalent Tc(1) and four equivalent Tc(2) atoms. There are a spread of Y(1)-Tc(1) bond distances ranging from 2.47-2.79 Å. There are a spread of Y(1)-Tc(2) bond distances ranging from 2.47-2.79 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Mn(1) atoms. There are a spread of Tc(1)-Mn(1) bond distances ranging from 2.94-3.21 Å. In the second Tc site, Tc(2) is bonded in a 8-coordinate geometry to four equivalent Y(1) and four equivalent Mn(1) atoms. There are a spread of Tc(2)-Mn(1) bond distances ranging from 2.78-3.07 Å. Mn(1) is bonded in a 8-coordinate geometry to four equivalent Tc(1) and four equivalent Tc(2) atoms.