data_Ti3Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   139.53
_cell_angle_beta   66.61
_cell_angle_gamma   129.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Te
_chemical_formula_sum   'Ti3 Te1'
_cell_volume   71.22
_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  0.0  0.0  0.9  1.0
  Ti  Ti2  1  0.81  0.85  0.83  1.0
  Ti  Ti3  1  0.81  0.15  0.83  1.0
  Te  Te0  1  0.0  0.38  0.9  1.0

data_Ti3Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.48
_cell_length_c   5.25
_cell_angle_alpha   115.25
_cell_angle_beta   110.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3Te
_chemical_formula_sum   'Ti3 Te1'
_cell_volume   71.22
_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  0.1  0.1  1.0
  Ti  Ti1  1  0.04  0.02  0.21  1.0
  Ti  Ti2  1  0.33  0.31  0.5  1.0
  Te  Te3  1  0.38  0.49  0.49  1.0

Ti Ti Ti Te