data_MnTc2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.79
_cell_length_b   4.79
_cell_length_c   4.79
_cell_angle_alpha   134.99
_cell_angle_beta   134.99
_cell_angle_gamma   65.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2As
_chemical_formula_sum   'Mn1 Tc2 As1'
_cell_volume   54.32
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.84  0.0  0.02  1.0
  Tc  Tc3  1  0.0  0.0  0.03  1.0
  As  As0  1  0.0  0.84  0.02  1.0

data_MnTc2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.67
_cell_length_b   3.67
_cell_length_c   4.79
_cell_angle_alpha   112.51
_cell_angle_beta   112.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnTc2As
_chemical_formula_sum   'Mn1 Tc2 As1'
_cell_volume   54.32
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.02  0.18  0.18  1.0
  Tc  Tc2  1  0.03  0.03  0.03  1.0
  As  As3  1  0.18  0.02  0.18  1.0

Mn Tc Tc As
Mn Tc Tc As 0 2 o o o 0 1 - o o 0 3 o - o 1 3 + - o 1 2 + o o 2 3 o - o 
Tc2MnAs is alpha Niobium phosphide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Tc2MnAs cluster. There are two inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 2-coordinate geometry to one Tc(2) and one As(1) atom. The Tc(1)-Tc(2) bond length is 0.74 Å. The Tc(1)-As(1) bond length is 0.85 Å. In the second Tc site, Tc(2) is bonded in a distorted single-bond geometry to one Tc(1), one Mn(1), and one As(1) atom. The Tc(2)-Mn(1) bond length is 0.15 Å. The Tc(2)-As(1) bond length is 0.74 Å. Mn(1) is bonded in a single-bond geometry to one Tc(2) atom. As(1) is bonded in a distorted single-bond geometry to one Tc(1) and one Tc(2) atom.