data_ScTaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaTe2
_chemical_formula_sum   'Sc1 Ta1 Te2'
_cell_volume   104.23
_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  0.94  1.0
  Ta  Ta1  1  0.93  0.0  0.69  1.0
  Te  Te2  1  0.0  0.0  0.71  1.0
  Te  Te3  1  0.93  0.0  0.08  1.0

data_ScTaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   10.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTaTe2
_chemical_formula_sum   'Sc1 Ta1 Te2'
_cell_volume   104.23
_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  0.94  1.0
  Ta  Ta1  1  0.93  0.0  0.69  1.0
  Te  Te2  1  0.0  0.0  0.71  1.0
  Te  Te3  1  0.93  0.0  0.08  1.0

Sc Ta Te Te
Sc Ta Te Te 0 3 - o + 1 2 + o o 