data_Ti3Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69
_cell_length_b   8.69
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Te5
_chemical_formula_sum   'Ti6 Te10'
_cell_volume   385.23
_cell_formula_units_Z   2
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  Ti10  1  0.33  0.89  0.41  1.0
  Ti  Ti11  1  0.32  0.63  0.47  1.0
  Ti  Ti12  1  0.68  0.63  0.41  1.0
  Ti  Ti13  1  0.34  0.0  0.41  1.0
  Ti  Ti14  1  0.35  0.0  0.47  1.0
  Ti  Ti15  1  0.67  0.89  0.47  1.0
  Te  Te0  1  0.35  0.51  0.94  1.0
  Te  Te1  1  0.0  0.02  0.0  1.0
  Te  Te2  1  0.0  0.02  0.94  1.0
  Te  Te3  1  0.35  0.51  0.0  1.0
  Te  Te4  1  0.82  0.5  0.41  1.0
  Te  Te5  1  0.83  0.03  0.47  1.0
  Te  Te6  1  0.17  0.03  0.41  1.0
  Te  Te7  1  0.35  0.0  0.41  1.0
  Te  Te8  1  0.34  0.0  0.47  1.0
  Te  Te9  1  0.18  0.5  0.47  1.0

data_Ti3Te5
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.89
_cell_length_b   8.69
_cell_length_c   8.69
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Te5
_chemical_formula_sum   'Ti6 Te10'
_cell_volume   385.23
_cell_formula_units_Z   2
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  0.41  0.33  0.89  1.0
  Ti  Ti1  1  0.41  0.34  0.0  1.0
  Ti  Ti2  1  0.41  0.68  0.63  1.0
  Ti  Ti3  1  0.47  0.32  0.63  1.0
  Ti  Ti4  1  0.47  0.35  0.0  1.0
  Ti  Ti5  1  0.47  0.67  0.89  1.0
  Te  Te6  1  0.0  0.0  0.02  1.0
  Te  Te7  1  0.0  0.35  0.51  1.0
  Te  Te8  1  0.41  0.17  0.03  1.0
  Te  Te9  1  0.41  0.35  0.0  1.0
  Te  Te10  1  0.41  0.82  0.5  1.0
  Te  Te11  1  0.47  0.18  0.5  1.0
  Te  Te12  1  0.47  0.34  0.0  1.0
  Te  Te13  1  0.47  0.83  0.03  1.0
  Te  Te14  1  0.94  0.0  0.02  1.0
  Te  Te15  1  0.94  0.35  0.51  1.0

Ti Ti Ti Ti Ti Ti Te Te Te Te Te Te Te Te Te Te