data_TaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   8.26
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2
_chemical_formula_sum   'Ta8 Re16'
_cell_volume   397.78
_cell_formula_units_Z   8
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  Ta16  1  0.58  0.58  0.58  1.0
  Ta  Ta17  1  0.93  0.93  0.58  1.0
  Ta  Ta18  1  0.93  0.58  0.93  1.0
  Ta  Ta19  1  0.58  0.93  0.93  1.0
  Ta  Ta20  1  0.01  0.01  0.01  1.0
  Ta  Ta21  1  0.67  0.67  0.01  1.0
  Ta  Ta22  1  0.67  0.01  0.67  1.0
  Ta  Ta23  1  0.01  0.67  0.67  1.0
  Re  Re0  1  0.46  0.38  0.38  1.0
  Re  Re1  1  0.38  0.46  0.38  1.0
  Re  Re2  1  0.38  0.38  0.46  1.0
  Re  Re3  1  0.46  0.46  0.46  1.0
  Re  Re4  1  0.84  0.84  0.96  1.0
  Re  Re5  1  0.84  0.96  0.84  1.0
  Re  Re6  1  0.96  0.84  0.84  1.0
  Re  Re7  1  0.72  0.84  0.84  1.0
  Re  Re8  1  0.84  0.72  0.84  1.0
  Re  Re9  1  0.84  0.84  0.72  1.0
  Re  Re10  1  0.76  0.76  0.64  1.0
  Re  Re11  1  0.76  0.64  0.76  1.0
  Re  Re12  1  0.64  0.76  0.76  1.0
  Re  Re13  1  0.88  0.76  0.76  1.0
  Re  Re14  1  0.76  0.88  0.76  1.0
  Re  Re15  1  0.76  0.76  0.88  1.0

data_TaRe2
_symmetry_space_group_name_H-M   R3m
_cell_length_a   8.26
_cell_length_b   8.26
_cell_length_c   20.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   TaRe2
_chemical_formula_sum   'Ta24 Re48'
_cell_volume   1193.33
_cell_formula_units_Z   24
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.11  0.55  0.89  1.0
  Ta  Ta1  9  0.22  0.44  0.85  1.0
  Ta  Ta2  3  0.0  0.0  0.42  1.0
  Ta  Ta3  3  0.0  0.0  0.99  1.0
  Re  Re4  9  0.03  0.05  0.59  1.0
  Re  Re5  9  0.04  0.08  0.12  1.0
  Re  Re6  9  0.04  0.08  0.2  1.0
  Re  Re7  9  0.08  0.04  0.2  1.0
  Re  Re8  9  0.08  0.04  0.28  1.0
  Re  Re9  3  0.0  0.0  0.54  1.0

Ta Ta Ta Ta Ta Ta Ta Ta Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re
Ta Ta Ta Ta Ta Ta Ta Ta Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re Re 0 11 o o o 0 20 o o o 0 19 o o o 0 18 o o o 1 17 o o o 2 16 o o o 3 15 o o o 4 14 - - - 4 13 - - - 4 12 - - - 5 23 o o - 6 22 o - o 7 21 - o o 8 9 o o o 8 10 o o o 8 11 o o o 9 10 o o o 9 11 o o o 10 11 o o o 12 14 o o o 12 13 o o o 13 14 o o o 15 23 o o o 15 22 o o o 16 23 o o o 16 21 o o o 17 22 o o o 17 21 o o o 18 19 o o o 18 20 o o o 19 20 o o o 