data_TaCrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.1
_cell_length_b   3.1
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrRe2
_chemical_formula_sum   'Ta1 Cr1 Re2'
_cell_volume   59.72
_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  0.0  0.0  0.11  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.55  0.55  0.47  1.0
  Re  Re2  1  0.55  0.55  0.74  1.0

data_TaCrRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   6.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaCrRe2
_chemical_formula_sum   'Ta2 Cr2 Re4'
_cell_volume   119.45
_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  0.0  0.0  0.11  1.0
  Cr  Cr1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.05  0.5  0.47  1.0
  Re  Re3  2  0.05  0.5  0.74  1.0

Ta Cr Re Re
TaCrRe2 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a single-bond geometry to one Cr(1) and four equivalent Re(1) atoms. The Ta(1)-Cr(1) bond length is 0.65 Å. There are a spread of Ta(1)-Re(1) bond distances ranging from 3.00-3.31 Å. Cr(1) is bonded in a single-bond geometry to one Ta(1) and four equivalent Re(2) atoms. There are a spread of Cr(1)-Re(2) bond distances ranging from 2.54-2.90 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to four equivalent Ta(1), one Re(2), and four equivalent Re(1) atoms. The Re(1)-Re(2) bond length is 1.69 Å. All Re(1)-Re(1) bond lengths are 3.10 Å. In the second Re site, Re(2) is bonded in a 5-coordinate geometry to four equivalent Cr(1) and one Re(1) atom.