data_TiRe2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   4.62
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRe2Sb
_chemical_formula_sum   'Ti1 Re2 Sb1'
_cell_volume   68.44
_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  0.0  0.0  0.0  1.0
  Re  Re0  1  0.98  0.31  0.89  1.0
  Re  Re1  1  0.95  0.31  0.15  1.0
  Sb  Sb2  1  0.47  0.0  0.52  1.0

data_TiRe2Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.62
_cell_length_c   5.04
_cell_angle_alpha   90.0
_cell_angle_beta   90.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRe2Sb
_chemical_formula_sum   'Ti1 Re2 Sb1'
_cell_volume   68.44
_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  0.0  0.0  0.0  1.0
  Re  Re1  1  0.95  0.31  0.15  1.0
  Re  Re2  1  0.98  0.31  0.89  1.0
  Sb  Sb3  1  0.47  0.0  0.52  1.0

Ti Re Re Sb