data_Sc2SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2SnTe
_chemical_formula_sum   'Sc2 Sn1 Te1'
_cell_volume   96.28
_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  0.63  0.0  0.74  1.0
  Sc  Sc1  1  0.0  0.63  0.74  1.0
  Sn  Sn2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.63  0.63  0.0  1.0

data_Sc2SnTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   3.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sc2SnTe
_chemical_formula_sum   'Sc4 Sn2 Te2'
_cell_volume   192.55
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.31  0.31  0.74  1.0
  Sn  Sn1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.13  0.5  -0.0  1.0

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