data_TaTiRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   5.19
_cell_angle_alpha   100.68
_cell_angle_beta   100.68
_cell_angle_gamma   38.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiRe2
_chemical_formula_sum   'Ta1 Ti1 Re2'
_cell_volume   65.14
_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  Ta2  1  0.77  0.0  0.54  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.37  0.0  0.83  1.0
  Re  Re1  1  0.17  0.0  0.26  1.0

data_TaTiRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.53
_cell_length_c   5.19
_cell_angle_alpha   100.68
_cell_angle_beta   90.0
_cell_angle_gamma   109.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaTiRe2
_chemical_formula_sum   'Ta1 Ti1 Re2'
_cell_volume   65.14
_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  Ta0  1  0.0  0.23  0.46  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.63  0.17  1.0
  Re  Re3  1  0.0  0.83  0.74  1.0

Ta Ti Re Re