data_ScSn2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Te
_chemical_formula_sum   'Sc1 Sn2 Te1'
_cell_volume   103.91
_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  0.0  1.0
  Sn  Sn1  1  0.73  0.02  0.85  1.0
  Sn  Sn2  1  0.73  0.98  0.85  1.0
  Te  Te3  1  0.47  0.0  0.0  1.0

data_ScSn2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.7
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   98.74
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSn2Te
_chemical_formula_sum   'Sc1 Sn2 Te1'
_cell_volume   103.91
_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  0.0  1.0
  Sn  Sn1  1  0.85  0.73  0.02  1.0
  Sn  Sn2  1  0.85  0.73  0.98  1.0
  Te  Te3  1  0.0  0.47  0.0  1.0

Sc Sn Sn Te