data_HfTcAg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.1
_cell_length_b   10.1
_cell_length_c   10.1
_cell_angle_alpha   16.25
_cell_angle_beta   16.25
_cell_angle_gamma   16.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfTcAg2
_chemical_formula_sum   'Hf1 Tc1 Ag2'
_cell_volume   70.28
_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
  Hf  Hf2  1  0.0  0.0  0.95  1.0
  Tc  Tc3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.0  0.56  1.0
  Ag  Ag1  1  0.0  0.0  0.33  1.0

data_HfTcAg2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.94
_cell_length_b   2.85
_cell_length_c   10.1
_cell_angle_alpha   90.0
_cell_angle_beta   99.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfTcAg2
_chemical_formula_sum   'Hf2 Tc2 Ag4'
_cell_volume   140.56
_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
  Hf  Hf0  2  0.0  0.0  0.05  1.0
  Tc  Tc1  2  0.0  0.0  0.0  1.0
  Ag  Ag2  2  0.0  0.0  0.44  1.0
  Ag  Ag3  2  0.0  0.0  0.67  1.0

Hf Tc Ag Ag
Hf Tc Ag Ag 0 1 o o + 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 3 3 o + - 3 3 + - o 3 3 + o - 
HfTcAg2 crystallizes in the monoclinic Cm space group. Hf(1) is bonded in a single-bond geometry to one Tc(1) and one Ag(1) atom. The Hf(1)-Tc(1) bond length is 0.55 Å. The Hf(1)-Ag(1) bond length is 3.85 Å. Tc(1) is bonded in a single-bond geometry to one Hf(1) and one Ag(2) atom. The Tc(1)-Ag(2) bond length is 3.30 Å. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one Hf(1), one Ag(2), and six equivalent Ag(1) atoms to form distorted AgHfAg7 hexagonal bipyramids that share corners with six equivalent Ag(1)HfAg7 hexagonal bipyramids, edges with six equivalent Ag(2)TcAg7 hexagonal bipyramids, and edges with twelve equivalent Ag(1)HfAg7 hexagonal bipyramids. The Ag(1)-Ag(2) bond length is 2.40 Å. All Ag(1)-Ag(1) bond lengths are 2.85 Å. In the second Ag site, Ag(2) is bonded to one Tc(1), one Ag(1), and six equivalent Ag(2) atoms to form distorted AgTcAg7 hexagonal bipyramids that share corners with six equivalent Ag(2)TcAg7 hexagonal bipyramids, edges with six equivalent Ag(1)HfAg7 hexagonal bipyramids, and edges with twelve equivalent Ag(2)TcAg7 hexagonal bipyramids. All Ag(2)-Ag(2) bond lengths are 2.85 Å.