data_TaAgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgBr2
_chemical_formula_sum   'Ta1 Ag1 Br2'
_cell_volume   86.56
_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  Ta3  1  0.63  0.63  0.18  1.0
  Ag  Ag0  1  0.0  0.0  0.02  1.0
  Br  Br1  1  0.63  0.63  0.72  1.0
  Br  Br2  1  0.0  0.0  0.55  1.0

data_TaAgBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   8.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaAgBr2
_chemical_formula_sum   'Ta2 Ag2 Br4'
_cell_volume   173.11
_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  0.13  0.5  0.18  1.0
  Ag  Ag1  2  0.0  0.0  0.02  1.0
  Br  Br2  2  0.0  0.0  0.55  1.0
  Br  Br3  2  0.13  0.5  0.72  1.0

Ta Ag Br Br
TaAgBr2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 1-coordinate geometry to one Ag(1) and one Br(2) atom. The Ta(1)-Ag(1) bond length is 2.19 Å. The Ta(1)-Br(2) bond length is 3.49 Å. Ag(1) is bonded in a 1-coordinate geometry to one Ta(1) and one Br(1) atom. The Ag(1)-Br(1) bond length is 2.99 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 2-coordinate geometry to one Ag(1) and three equivalent Br(2) atoms. There is one shorter (2.19 Å) and two longer (2.73 Å) Br(1)-Br(2) bond lengths. In the second Br site, Br(2) is bonded in a 4-coordinate geometry to one Ta(1) and three equivalent Br(1) atoms.