data_YTi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   142.87
_cell_angle_beta   130.55
_cell_angle_gamma   63.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Te
_chemical_formula_sum   'Y1 Ti2 Te1'
_cell_volume   88.46
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.85  0.0  0.54  1.0
  Ti  Ti2  1  0.0  0.43  0.4  1.0
  Te  Te0  1  0.0  0.0  0.93  1.0

data_YTi2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   4.85
_cell_length_c   5.8
_cell_angle_alpha   114.72
_cell_angle_beta   108.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTi2Te
_chemical_formula_sum   'Y1 Ti2 Te1'
_cell_volume   88.46
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.0  0.54  0.69  1.0
  Ti  Ti2  1  0.57  0.97  0.97  1.0
  Te  Te3  1  0.0  0.93  0.93  1.0

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