data_Ti2AlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   136.62
_cell_angle_beta   135.12
_cell_angle_gamma   64.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlTe
_chemical_formula_sum   'Ti2 Al1 Te1'
_cell_volume   71.98
_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  Ti2  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.0  0.03  0.25  1.0
  Al  Al0  1  0.0  0.0  0.52  1.0
  Te  Te1  1  0.97  0.0  0.25  1.0

data_Ti2AlTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.06
_cell_length_c   5.32
_cell_angle_alpha   112.44
_cell_angle_beta   111.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2AlTe
_chemical_formula_sum   'Ti2 Al1 Te1'
_cell_volume   71.98
_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  0.75  0.78  0.78  1.0
  Ti  Ti1  1  1.0  1.0  1.0  1.0
  Al  Al2  1  0.48  0.48  0.48  1.0
  Te  Te3  1  0.71  0.75  0.71  1.0

Ti Ti Al Te