data_Ti5Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   146.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Te
_chemical_formula_sum   'Ti5 Te1'
_cell_volume   106.5
_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  Ti1  1  0.99  0.68  0.03  1.0
  Ti  Ti2  1  0.99  0.32  0.03  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Ti  Ti4  1  0.99  0.27  0.0  1.0
  Ti  Ti5  1  0.99  0.73  0.0  1.0
  Te  Te0  1  0.99  0.0  0.03  1.0

data_Ti5Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   4.06
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   106.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5Te
_chemical_formula_sum   'Ti5 Te1'
_cell_volume   106.5
_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
  Ti  Ti1  1  0.27  -0.0  0.28  1.0
  Ti  Ti2  1  0.32  0.97  0.33  1.0
  Ti  Ti3  1  0.68  0.97  0.69  1.0
  Ti  Ti4  1  0.73  -0.0  0.74  1.0
  Te  Te5  1  0.0  0.97  0.01  1.0

Ti Ti Ti Ti Ti Te