data_TiReTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   3.58
_cell_angle_alpha   106.04
_cell_angle_beta   106.04
_cell_angle_gamma   112.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiReTe2
_chemical_formula_sum   'Ti1 Re1 Te2'
_cell_volume   82.47
_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  0.0  0.0  1.0
  Te  Te1  1  0.6  0.77  0.55  1.0
  Te  Te2  1  0.6  0.23  0.55  1.0

data_TiReTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.2
_cell_length_c   5.37
_cell_angle_alpha   116.47
_cell_angle_beta   106.04
_cell_angle_gamma   96.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiReTe2
_chemical_formula_sum   'Ti1 Re1 Te2'
_cell_volume   82.47
_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  0.0  0.0  0.98  1.0
  Te  Te2  1  0.32  0.77  0.37  1.0
  Te  Te3  1  0.78  0.23  0.83  1.0

Ti Re Te Te