data_TaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.15
_cell_length_b   9.15
_cell_length_c   9.15
_cell_angle_alpha   162.98
_cell_angle_beta   151.96
_cell_angle_gamma   32.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe2
_chemical_formula_sum   'Ta2 Re4'
_cell_volume   105.5
_cell_formula_units_Z   2
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  Ta4  1  0.0  0.11  0.88  1.0
  Ta  Ta5  1  0.35  0.11  0.9  1.0
  Re  Re0  1  0.0  0.11  0.61  1.0
  Re  Re1  1  0.35  0.11  0.16  1.0
  Re  Re2  1  0.0  0.11  0.27  1.0
  Re  Re3  1  0.35  0.11  0.51  1.0

data_TaRe2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.71
_cell_length_b   4.44
_cell_length_c   9.15
_cell_angle_alpha   104.02
_cell_angle_beta   98.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaRe2
_chemical_formula_sum   'Ta2 Re4'
_cell_volume   105.5
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Ta0  2  0.17  0.99  0.17  1.0
  Re  Re1  2  0.1  0.28  0.1  1.0
  Re  Re2  2  0.44  0.62  0.44  1.0

Ta Ta Re Re Re Re