data_YTi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   102.33
_cell_angle_beta   102.33
_cell_angle_gamma   38.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Te
_chemical_formula_sum   'Y1 Ti2 Te1'
_cell_volume   86.52
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.5  0.0  0.64  1.0
  Ti  Ti2  1  0.2  0.0  0.46  1.0
  Te  Te0  1  0.35  0.0  0.55  1.0

data_YTi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   102.33
_cell_angle_beta   90.0
_cell_angle_gamma   109.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Te
_chemical_formula_sum   'Y1 Ti2 Te1'
_cell_volume   86.52
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.5  0.36  1.0
  Ti  Ti2  1  0.0  0.8  0.54  1.0
  Te  Te3  1  0.0  0.65  0.45  1.0

Y Ti Ti Te