data_Tc2NiAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2NiAg
_chemical_formula_sum   'Tc2 Ni1 Ag1'
_cell_volume   57.29
_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
  Tc  Tc2  1  0.31  0.31  0.85  1.0
  Tc  Tc3  1  0.31  0.31  0.45  1.0
  Ni  Ni1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.15  1.0

data_Tc2NiAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   8.3
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2NiAg
_chemical_formula_sum   'Tc4 Ni2 Ag2'
_cell_volume   114.59
_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
  Tc  Tc0  2  0.31  0.0  0.45  1.0
  Tc  Tc1  2  0.31  0.0  0.85  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Ag  Ag3  2  0.0  0.0  0.15  1.0

Tc Tc Ni Ag
Tc Tc Ni Ag 0 2 o o + 1 3 o o o 1 1 + o o 1 1 o + o 2 3 o o o 
Tc2NiAg crystallizes in the monoclinic Cm space group. 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 Ni(1) atom. The Tc(1)-Tc(2) bond length is 3.33 Å. The Tc(1)-Ni(1) bond length is 1.69 Å. In the second Tc site, Tc(2) is bonded in a 8-coordinate geometry to one Tc(1), four equivalent Tc(2), and three equivalent Ag(1) atoms. All Tc(2)-Tc(2) bond lengths are 2.63 Å. There is one shorter (2.74 Å) and two longer (3.18 Å) Tc(2)-Ag(1) bond lengths. Ni(1) is bonded in a 2-coordinate geometry to one Tc(1) and one Ag(1) atom. The Ni(1)-Ag(1) bond length is 1.27 Å. Ag(1) is bonded in a single-bond geometry to three equivalent Tc(2) and one Ni(1) atom.