data_Mn2Tc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2Tc
_chemical_formula_sum   'Mn8 Tc4'
_cell_volume   185.91
_cell_formula_units_Z   4
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
  Mn  Mn0  1  0.7  0.55  0.01  1.0
  Mn  Mn1  1  0.7  0.01  0.15  1.0
  Mn  Mn2  1  0.15  0.7  0.01  1.0
  Mn  Mn3  1  0.15  0.15  0.15  1.0
  Mn  Mn4  1  0.55  0.55  0.55  1.0
  Mn  Mn5  1  0.55  0.01  0.7  1.0
  Mn  Mn6  1  0.01  0.7  0.55  1.0
  Mn  Mn7  1  0.01  0.15  0.7  1.0
  Tc  Tc8  1  0.0  0.0  0.0  1.0
  Tc  Tc9  1  0.0  0.85  0.85  1.0
  Tc  Tc10  1  0.85  0.0  0.85  1.0
  Tc  Tc11  1  0.85  0.85  0.0  1.0

data_Mn2Tc
_symmetry_space_group_name_H-M   R3
_cell_length_a   8.07
_cell_length_b   8.07
_cell_length_c   9.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   146
_chemical_formula_structural   Mn2Tc
_chemical_formula_sum   'Mn24 Tc12'
_cell_volume   557.72
_cell_formula_units_Z   12
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  'x+1/3, y+2/3, z+2/3'
  5  '-y+1/3, x-y+2/3, z+2/3'
  6  '-x+y+1/3, -x+2/3, z+2/3'
  7  'x+2/3, y+1/3, z+1/3'
  8  '-y+2/3, x-y+1/3, z+1/3'
  9  '-x+y+2/3, -x+1/3, z+1/3'
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
  Mn  Mn0  9  0.05  0.25  0.95  1.0
  Mn  Mn1  9  0.13  0.72  0.42  1.0
  Mn  Mn2  3  0.0  0.0  0.15  1.0
  Mn  Mn3  3  0.0  0.0  0.55  1.0
  Tc  Tc4  9  0.1  0.05  0.9  1.0
  Tc  Tc5  3  0.0  0.0  0.0  1.0

Mn Mn Mn Mn Mn Mn Mn Mn Tc Tc Tc Tc
TcMn2 crystallizes in the trigonal R3 space group. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 7-coordinate geometry to three equivalent Tc(2), one Mn(3), and three equivalent Mn(2) atoms. All Tc(1)-Tc(2) bond lengths are 1.18 Å. The Tc(1)-Mn(3) bond length is 1.52 Å. All Tc(1)-Mn(2) bond lengths are 1.92 Å. In the second Tc site, Tc(2) is bonded in a 5-coordinate geometry to one Tc(1), two equivalent Tc(2), one Mn(1), and one Mn(2) atom. Both Tc(2)-Tc(2) bond lengths are 1.18 Å. The Tc(2)-Mn(1) bond length is 1.92 Å. The Tc(2)-Mn(2) bond length is 1.52 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a single-bond geometry to one Tc(2) and two equivalent Mn(4) atoms. There is one shorter (2.72 Å) and one longer (3.23 Å) Mn(1)-Mn(4) bond length. In the second Mn site, Mn(2) is bonded in a distorted single-bond geometry to one Tc(1) and one Tc(2) atom. In the third Mn site, Mn(3) is bonded in a single-bond geometry to one Tc(1) atom. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to six equivalent Mn(1) atoms.