data_ScSnBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   140.24
_cell_angle_beta   140.24
_cell_angle_gamma   57.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSnBi
_chemical_formula_sum   'Sc1 Sn1 Bi1'
_cell_volume   76.05
_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  Sc1  1  0.0  0.0  0.34  1.0
  Sn  Sn2  1  0.0  0.0  0.8  1.0
  Bi  Bi0  1  0.0  0.0  0.94  1.0

data_ScSnBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.51
_cell_length_b   5.51
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   118.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScSnBi
_chemical_formula_sum   'Sc2 Sn2 Bi2'
_cell_volume   152.1
_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  2  0.34  0.0  0.34  1.0
  Sn  Sn1  2  0.3  0.5  0.8  1.0
  Bi  Bi2  2  0.44  0.5  0.94  1.0

Sc Sn Bi
Sc Sn Bi 0 2 o o - 0 1 o o o 1 2 o o o 