data_Ti2InTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.57
_cell_angle_alpha   136.79
_cell_angle_beta   136.79
_cell_angle_gamma   62.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InTe
_chemical_formula_sum   'Ti2 In1 Te1'
_cell_volume   79.88
_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  0.05  0.0  0.38  1.0
  In  In0  1  0.0  0.0  0.75  1.0
  Te  Te1  1  0.0  0.05  0.38  1.0

data_Ti2InTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   4.1
_cell_length_c   5.57
_cell_angle_alpha   111.6
_cell_angle_beta   111.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2InTe
_chemical_formula_sum   'Ti2 In1 Te1'
_cell_volume   79.88
_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  0.38  0.33  0.33  1.0
  In  In2  1  0.75  0.75  0.75  1.0
  Te  Te3  1  0.33  0.38  0.33  1.0

Ti Ti In Te