data_ScTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   110.39
_cell_angle_beta   110.39
_cell_angle_gamma   107.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTe2
_chemical_formula_sum   'Sc2 Te4'
_cell_volume   158.29
_cell_formula_units_Z   2
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  0.23  1.0
  Sc  Sc1  1  0.0  0.0  0.74  1.0
  Te  Te2  1  0.07  0.3  0.0  1.0
  Te  Te3  1  0.3  0.07  0.48  1.0
  Te  Te4  1  0.44  0.07  0.0  1.0
  Te  Te5  1  0.93  0.3  0.48  1.0

data_ScTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   107.65
_cell_angle_beta   110.39
_cell_angle_gamma   110.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTe2
_chemical_formula_sum   'Sc2 Te4'
_cell_volume   158.29
_cell_formula_units_Z   2
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  0.23  0.0  0.0  1.0
  Sc  Sc1  1  0.74  0.0  0.0  1.0
  Te  Te2  1  0.0  0.07  0.3  1.0
  Te  Te3  1  0.0  0.44  0.07  1.0
  Te  Te4  1  0.48  0.3  0.07  1.0
  Te  Te5  1  0.48  0.93  0.3  1.0

Sc Sc Te Te Te Te