data_Ti2ReTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.38
_cell_length_b   3.36
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   91.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ReTe
_chemical_formula_sum   'Ti2 Re1 Te1'
_cell_volume   69.89
_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  Ti2  1  0.62  0.68  0.66  1.0
  Ti  Ti3  1  0.57  0.68  0.48  1.0
  Re  Re0  1  0.9  0.0  0.07  1.0
  Te  Te1  1  0.0  0.0  0.0  1.0

data_Ti2ReTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   3.38
_cell_length_c   6.14
_cell_angle_alpha   91.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2ReTe
_chemical_formula_sum   'Ti2 Re1 Te1'
_cell_volume   69.89
_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  0.32  0.38  0.34  1.0
  Ti  Ti1  1  0.32  0.43  0.52  1.0
  Re  Re2  1  0.0  0.1  0.93  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Ti Ti Re Te
Ti Ti Re Te 0 1 o o o 2 3 + o o 