data_TiSi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2Te
_chemical_formula_sum   'Ti1 Si2 Te1'
_cell_volume   72.14
_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
  Si  Si0  1  0.48  0.99  0.53  1.0
  Si  Si1  1  0.48  0.01  0.53  1.0
  Te  Te2  1  0.97  0.0  0.0  1.0

data_TiSi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   106.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSi2Te
_chemical_formula_sum   'Ti1 Si2 Te1'
_cell_volume   72.14
_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
  Si  Si1  1  0.53  0.48  0.01  1.0
  Si  Si2  1  0.53  0.48  0.99  1.0
  Te  Te3  1  -0.0  0.97  0.0  1.0

Ti Si Si Te