data_Ta2AgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2AgB
_chemical_formula_sum   'Ta2 Ag1 B1'
_cell_volume   59.57
_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
  Ta  Ta2  1  0.4  0.4  0.5  1.0
  Ta  Ta3  1  0.4  0.4  0.12  1.0
  Ag  Ag0  1  0.0  0.0  0.81  1.0
  B  B1  1  0.0  0.0  0.0  1.0

data_Ta2AgB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2AgB
_chemical_formula_sum   'Ta4 Ag2 B2'
_cell_volume   119.13
_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
  Ta  Ta0  2  0.4  0.0  0.12  1.0
  Ta  Ta1  2  0.4  0.0  0.5  1.0
  Ag  Ag2  2  0.0  0.0  0.81  1.0
  B  B3  2  0.0  0.0  0.0  1.0

Ta Ta Ag B
Ta2AgB crystallizes in the monoclinic Cm space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 9-coordinate geometry to one Ta(2), four equivalent Ta(1), and four equivalent Ag(1) atoms. The Ta(1)-Ta(2) bond length is 2.92 Å. All Ta(1)-Ta(1) bond lengths are 2.80 Å. There are a spread of Ta(1)-Ag(1) bond distances ranging from 2.83-3.34 Å. In the second Ta site, Ta(2) is bonded in a 3-coordinate geometry to one Ta(1) and four equivalent B(1) atoms. There are a spread of Ta(2)-B(1) bond distances ranging from 1.81-2.54 Å. Ag(1) is bonded in a distorted single-bond geometry to four equivalent Ta(1) and one B(1) atom. The Ag(1)-B(1) bond length is 1.46 Å. B(1) is bonded in a 5-coordinate geometry to four equivalent Ta(2) and one Ag(1) atom.