data_Zr2MnTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   142.22
_cell_angle_beta   123.0
_cell_angle_gamma   70.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnTc
_chemical_formula_sum   'Zr2 Mn1 Tc1'
_cell_volume   68.89
_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  Zr2  1  0.0  0.46  0.18  1.0
  Zr  Zr3  1  0.67  0.0  0.02  1.0
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.21  1.0

data_Zr2MnTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.91
_cell_length_c   5.15
_cell_angle_alpha   118.5
_cell_angle_beta   108.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnTc
_chemical_formula_sum   'Zr2 Mn1 Tc1'
_cell_volume   68.89
_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  Zr0  1  0.64  0.98  0.64  1.0
  Zr  Zr1  1  0.82  0.27  0.27  1.0
  Mn  Mn2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.79  0.79  0.79  1.0

Zr Zr Mn Tc
Zr2TcMn crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Zr2TcMn cluster. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 1-coordinate geometry to one Mn(1) atom. The Zr(1)-Mn(1) bond length is 1.71 Å. In the second Zr site, Zr(2) is bonded in a single-bond geometry to one Tc(1) atom. The Zr(2)-Tc(1) bond length is 1.44 Å. Tc(1) is bonded in a distorted L-shaped geometry to one Zr(2) and one Mn(1) atom. The Tc(1)-Mn(1) bond length is 1.06 Å. Mn(1) is bonded in a 2-coordinate geometry to one Zr(1) and one Tc(1) atom.