data_ScBi2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17
_cell_length_b   3.98
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2Te
_chemical_formula_sum   'Sc1 Bi2 Te1'
_cell_volume   119.38
_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  Sc2  1  0.4  0.0  0.08  1.0
  Bi  Bi0  1  0.23  0.0  0.9  1.0
  Bi  Bi1  1  0.32  0.99  0.59  1.0
  Te  Te3  1  0.49  0.99  0.4  1.0

data_ScBi2Te
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.17
_cell_length_b   3.98
_cell_length_c   7.44
_cell_angle_alpha   90.0
_cell_angle_beta   105.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   ScBi2Te
_chemical_formula_sum   'Sc1 Bi2 Te1'
_cell_volume   119.38
_cell_formula_units_Z   1
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  1  0.4  0.0  0.08  1.0
  Bi  Bi1  1  0.23  0.0  0.9  1.0
  Bi  Bi2  1  0.32  0.0  0.59  1.0
  Te  Te3  1  0.49  0.0  0.4  1.0

Sc Bi Bi Te