data_ZrMnTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.42
_cell_length_b   9.42
_cell_length_c   9.42
_cell_angle_alpha   16.92
_cell_angle_beta   16.92
_cell_angle_gamma   16.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrMnTc2
_chemical_formula_sum   'Zr1 Mn1 Tc2'
_cell_volume   61.75
_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
  Zr  Zr3  1  0.0  0.0  0.92  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.27  1.0
  Tc  Tc2  1  0.0  0.0  0.57  1.0

data_ZrMnTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.8
_cell_length_b   2.77
_cell_length_c   9.42
_cell_angle_alpha   90.0
_cell_angle_beta   99.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrMnTc2
_chemical_formula_sum   'Zr2 Mn2 Tc4'
_cell_volume   123.5
_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
  Zr  Zr0  2  0.0  0.0  0.08  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.73  1.0
  Tc  Tc3  2  0.0  0.0  0.43  1.0

Zr Mn Tc Tc
ZrTc2Mn crystallizes in the monoclinic Cm space group. Zr(1) is bonded in a single-bond geometry to one Tc(2) and one Mn(1) atom. The Zr(1)-Tc(2) bond length is 3.30 Å. The Zr(1)-Mn(1) bond length is 0.74 Å. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a distorted single-bond geometry to one Tc(2) and one Mn(1) atom. The Tc(1)-Tc(2) bond length is 2.81 Å. The Tc(1)-Mn(1) bond length is 2.56 Å. In the second Tc site, Tc(2) is bonded to one Zr(1), one Tc(1), and six equivalent Tc(2) atoms to form a mixture of distorted corner and edge-sharing TcZrTc7 hexagonal bipyramids. All Tc(2)-Tc(2) bond lengths are 2.77 Å. Mn(1) is bonded in a single-bond geometry to one Zr(1) and one Tc(1) atom.