data_TaRh2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRh2Br
_chemical_formula_sum   'Ta1 Rh2 Br1'
_cell_volume   66.5
_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  0.51  0.51  0.57  1.0
  Rh  Rh1  1  0.51  0.51  0.05  1.0
  Rh  Rh2  1  0.0  0.0  0.91  1.0
  Br  Br0  1  0.0  0.0  0.39  1.0

data_TaRh2Br
_symmetry_space_group_name_H-M   P4mm
_cell_length_a   3.02
_cell_length_b   3.02
_cell_length_c   7.29
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   99
_chemical_formula_structural   TaRh2Br
_chemical_formula_sum   'Ta1 Rh2 Br1'
_cell_volume   66.5
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x, z'
  3  '-x, -y, z'
  4  'y, -x, z'
  5  '-x, y, z'
  6  'y, x, z'
  7  'x, -y, z'
  8  '-y, -x, 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  1  0.5  0.5  0.57  1.0
  Rh  Rh1  1  0.0  0.0  0.91  1.0
  Rh  Rh2  1  0.5  0.5  0.05  1.0
  Br  Br3  1  0.0  0.0  0.39  1.0

Ta Rh Rh Br
TaRh2Br crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 4-coordinate geometry to four equivalent Rh(2) and four equivalent Br(1) atoms. There are a spread of Ta(1)-Rh(2) bond distances ranging from 3.23-3.29 Å. There are a spread of Ta(1)-Br(1) bond distances ranging from 2.46-2.54 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a 8-coordinate geometry to four equivalent Rh(2) and four equivalent Br(1) atoms. There are a spread of Rh(1)-Rh(2) bond distances ranging from 2.34-2.42 Å. There are a spread of Rh(1)-Br(1) bond distances ranging from 3.24-3.30 Å. In the second Rh site, Rh(2) is bonded in a 8-coordinate geometry to four equivalent Ta(1) and four equivalent Rh(1) atoms. Br(1) is bonded in a 4-coordinate geometry to four equivalent Ta(1) and four equivalent Rh(1) atoms.