data_ScTiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51
_cell_length_b   3.52
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiTe2
_chemical_formula_sum   'Sc1 Ti1 Te2'
_cell_volume   87.17
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ti  Ti3  1  0.95  0.0  0.53  1.0
  Te  Te1  1  0.72  0.76  0.85  1.0
  Te  Te2  1  0.7  0.76  0.21  1.0

data_ScTiTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   3.52
_cell_length_c   7.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTiTe2
_chemical_formula_sum   'Sc1 Ti1 Te2'
_cell_volume   87.17
_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
  Sc  Sc0  1  0.0  0.0  0.0  1.0
  Ti  Ti1  1  0.95  0.0  0.53  1.0
  Te  Te2  1  0.7  0.76  0.21  1.0
  Te  Te3  1  0.72  0.76  0.85  1.0

Sc Ti Te Te