data_ScTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   141.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTe
_chemical_formula_sum   'Sc2 Te2'
_cell_volume   99.96
_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  0.89  0.62  0.61  1.0
  Sc  Sc1  1  0.89  0.38  0.2  1.0
  Te  Te2  1  0.89  0.65  0.61  1.0
  Te  Te3  1  0.89  0.35  0.2  1.0

data_ScTe
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.79
_cell_length_b   4.81
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   109.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   ScTe
_chemical_formula_sum   'Sc2 Te2'
_cell_volume   99.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.38  0.7  0.38  1.0
  Te  Te1  2  0.35  0.7  0.35  1.0

Sc Sc Te Te
Sc Sc Te Te 0 2 o o o 1 3 o o o 