data_ScBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   3.41
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2
_chemical_formula_sum   'Sc1 Bi2'
_cell_volume   84.11
_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  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.67  0.54  0.44  1.0
  Bi  Bi1  1  0.0  0.08  0.97  1.0

data_ScBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.41
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2
_chemical_formula_sum   'Sc1 Bi2'
_cell_volume   84.11
_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
  Bi  Bi1  1  0.44  0.67  0.54  1.0
  Bi  Bi2  1  0.97  -0.0  0.08  1.0

Sc Bi Bi
Sc Bi Bi 0 2 o o - 0 1 - - o 0 1 - - - 1 2 + + - 1 2 + + o 1 1 o o + 