data_Sc2Te3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.65
_cell_length_b   13.02
_cell_length_c   7.15
_cell_angle_alpha   79.45
_cell_angle_beta   69.58
_cell_angle_gamma   30.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Te3
_chemical_formula_sum   'Sc8 Te12'
_cell_volume   594.63
_cell_formula_units_Z   4
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  0.19  0.75  0.49  1.0
  Sc  Sc1  1  0.13  0.84  0.51  1.0
  Sc  Sc2  1  0.13  0.84  0.18  1.0
  Sc  Sc3  1  0.19  0.75  0.54  1.0
  Sc  Sc4  1  0.13  0.84  0.32  1.0
  Sc  Sc5  1  0.19  0.75  0.68  1.0
  Sc  Sc6  1  0.19  0.75  0.35  1.0
  Sc  Sc7  1  0.13  0.84  0.37  1.0
  Te  Te8  1  0.19  0.83  0.46  1.0
  Te  Te9  1  0.06  0.84  0.46  1.0
  Te  Te10  1  0.09  0.92  0.17  1.0
  Te  Te11  1  0.04  0.92  0.17  1.0
  Te  Te12  1  0.06  0.83  0.23  1.0
  Te  Te13  1  0.19  0.84  0.23  1.0
  Te  Te14  1  0.13  0.91  0.29  1.0
  Te  Te15  1  0.13  0.76  0.29  1.0
  Te  Te16  1  0.03  0.84  0.35  1.0
  Te  Te17  1  0.23  0.84  0.35  1.0
  Te  Te18  1  0.13  0.91  0.4  1.0
  Te  Te19  1  0.13  0.76  0.4  1.0

data_Sc2Te3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.15
_cell_length_b   7.15
_cell_length_c   13.02
_cell_angle_alpha   100.55
_cell_angle_beta   100.55
_cell_angle_gamma   109.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Te3
_chemical_formula_sum   'Sc8 Te12'
_cell_volume   594.63
_cell_formula_units_Z   4
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  0.18  0.87  0.04  1.0
  Sc  Sc1  1  0.32  0.87  0.04  1.0
  Sc  Sc2  1  0.35  0.81  0.06  1.0
  Sc  Sc3  1  0.37  0.87  0.04  1.0
  Sc  Sc4  1  0.49  0.81  0.06  1.0
  Sc  Sc5  1  0.51  0.87  0.04  1.0
  Sc  Sc6  1  0.54  0.81  0.06  1.0
  Sc  Sc7  1  0.68  0.81  0.06  1.0
  Te  Te8  1  0.17  0.91  0.99  1.0
  Te  Te9  1  0.17  0.96  0.05  1.0
  Te  Te10  1  0.23  0.81  0.97  1.0
  Te  Te11  1  0.23  0.94  0.11  1.0
  Te  Te12  1  0.29  0.87  0.96  1.0
  Te  Te13  1  0.29  0.87  0.12  1.0
  Te  Te14  1  0.35  0.77  0.94  1.0
  Te  Te15  1  0.35  0.97  0.14  1.0
  Te  Te16  1  0.4  0.87  0.96  1.0
  Te  Te17  1  0.4  0.87  0.12  1.0
  Te  Te18  1  0.46  0.81  0.98  1.0
  Te  Te19  1  0.46  0.94  0.1  1.0

Sc Sc Sc Sc Sc Sc Sc Sc Te Te Te Te Te Te Te Te Te Te Te Te