data_Ti3Te5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.37
_cell_length_b   6.37
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Te5
_chemical_formula_sum   'Ti3 Te5'
_cell_volume   186.21
_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  Ti5  1  0.0  0.0  0.0  1.0
  Ti  Ti6  1  0.66  0.94  0.44  1.0
  Ti  Ti7  1  0.66  0.06  0.44  1.0
  Te  Te0  1  0.66  0.0  0.0  1.0
  Te  Te1  1  0.83  0.39  0.0  1.0
  Te  Te2  1  0.83  0.61  0.0  1.0
  Te  Te3  1  0.74  0.0  0.44  1.0
  Te  Te4  1  0.59  0.0  0.44  1.0

data_Ti3Te5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.88
_cell_length_b   6.37
_cell_length_c   6.37
_cell_angle_alpha   109.81
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Te5
_chemical_formula_sum   'Ti3 Te5'
_cell_volume   186.21
_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  0.44  0.66  0.06  1.0
  Ti  Ti2  1  0.44  0.66  0.94  1.0
  Te  Te3  1  -0.0  0.83  0.39  1.0
  Te  Te4  1  -0.0  0.83  0.61  1.0
  Te  Te5  1  -0.0  0.66  0.0  1.0
  Te  Te6  1  0.44  0.59  0.0  1.0
  Te  Te7  1  0.44  0.74  0.0  1.0

Ti Ti Ti Te Te Te Te Te
Ti Ti Ti Te Te Te Te Te 0 5 - - o 0 3 - o o 1 6 o + o 1 3 o + o 2 7 o o o 2 3 o o o 3 7 o o o 3 6 o o o 3 4 o o o 4 5 o o o 