data_TiIn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   145.41
_cell_angle_beta   136.6
_cell_angle_gamma   56.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Te
_chemical_formula_sum   'Ti1 In2 Te1'
_cell_volume   97.39
_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  Ti3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.88  0.0  0.48  1.0
  In  In1  1  0.0  0.33  0.07  1.0
  Te  Te2  1  0.0  0.0  0.56  1.0

data_TiIn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.67
_cell_length_c   6.31
_cell_angle_alpha   111.7
_cell_angle_beta   107.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiIn2Te
_chemical_formula_sum   'Ti1 In2 Te1'
_cell_volume   97.39
_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
  In  In1  1  0.0  0.48  0.61  1.0
  In  In2  1  0.67  0.74  0.74  1.0
  Te  Te3  1  0.0  0.56  0.56  1.0

Ti In In Te
Ti In In Te 0 2 o o o 1 3 + o o 1 2 + o + 2 3 o o - 