data_TaRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaRe
_chemical_formula_sum   'Ta2 Re2'
_cell_volume   66.02
_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  Ta2  1  0.59  0.85  0.2  1.0
  Ta  Ta3  1  0.59  0.15  0.82  1.0
  Re  Re0  1  0.59  0.85  0.59  1.0
  Re  Re1  1  0.59  0.15  0.43  1.0

data_TaRe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.8
_cell_length_b   2.8
_cell_length_c   9.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.49
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TaRe
_chemical_formula_sum   'Ta2 Re2'
_cell_volume   66.02
_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  0.5  0.15  0.81  1.0
  Re  Re1  2  0.5  0.15  0.42  1.0

Ta Ta Re Re