data_TiSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   3.69
_cell_length_c   6.95
_cell_angle_alpha   90.0
_cell_angle_beta   106.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Te
_chemical_formula_sum   'Ti1 Sn2 Te1'
_cell_volume   102.46
_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  0.94  0.0  0.15  1.0
  Sn  Sn0  1  0.84  0.84  0.57  1.0
  Sn  Sn1  1  0.69  0.0  0.96  1.0
  Te  Te2  1  0.81  0.84  0.31  1.0

data_TiSn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.17
_cell_length_c   6.95
_cell_angle_alpha   106.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSn2Te
_chemical_formula_sum   'Ti1 Sn2 Te1'
_cell_volume   102.46
_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  0.06  0.85  1.0
  Sn  Sn1  1  0.0  0.31  0.04  1.0
  Sn  Sn2  1  0.16  0.16  0.43  1.0
  Te  Te3  1  0.16  0.19  0.69  1.0

Ti Sn Sn Te