data_Y2TcBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.4
_cell_length_b   3.4
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y2TcBr
_chemical_formula_sum   'Y2 Tc1 Br1'
_cell_volume   108.14
_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
  Y  Y2  1  0.0  0.0  0.99  1.0
  Y  Y3  1  0.7  0.7  0.65  1.0
  Tc  Tc1  1  0.7  0.7  0.26  1.0
  Br  Br0  1  0.0  0.0  0.43  1.0

data_Y2TcBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   9.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Y2TcBr
_chemical_formula_sum   'Y4 Tc2 Br2'
_cell_volume   216.28
_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
  Y  Y0  2  0.0  0.0  0.99  1.0
  Y  Y1  2  0.2  0.5  0.65  1.0
  Tc  Tc2  2  0.2  0.5  0.26  1.0
  Br  Br3  2  0.0  0.0  0.43  1.0

Y Y Tc Br
Y Y Tc Br 0 1 - - o 0 2 - - + 0 2 - o + 0 2 o - + 0 0 + o o 0 0 o + o 1 3 + + o 2 3 + + o 
Y2TcBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Y2TcBr clusters. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Tc(1) atom. The Y(1)-Tc(1) bond length is 2.90 Å. In the second Y site, Y(2) is bonded in a distorted single-bond geometry to one Br(1) atom. The Y(2)-Br(1) bond length is 2.44 Å. Tc(1) is bonded in a distorted single-bond geometry to one Y(1) and one Br(1) atom. The Tc(1)-Br(1) bond length is 2.17 Å. Br(1) is bonded in a distorted water-like geometry to one Y(2) and one Tc(1) atom.