data_TiRe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.74
_cell_length_b   4.41
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRe2Mo
_chemical_formula_sum   'Ti1 Re2 Mo1'
_cell_volume   61.37
_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
  Ti  Ti3  1  0.89  0.0  0.53  1.0
  Re  Re1  1  0.01  0.0  0.0  1.0
  Re  Re2  1  0.82  0.21  0.28  1.0
  Mo  Mo0  1  0.96  0.21  0.79  1.0

data_TiRe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   4.41
_cell_length_c   5.16
_cell_angle_alpha   90.0
_cell_angle_beta   100.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRe2Mo
_chemical_formula_sum   'Ti1 Re2 Mo1'
_cell_volume   61.37
_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
  Ti  Ti0  1  0.89  0.0  0.53  1.0
  Re  Re1  1  0.01  0.0  0.0  1.0
  Re  Re2  1  0.82  0.21  0.28  1.0
  Mo  Mo3  1  0.96  0.21  0.79  1.0

Ti Re Re Mo