data_ScInBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.09
_cell_length_b   6.09
_cell_length_c   5.49
_cell_angle_alpha   103.74
_cell_angle_beta   103.74
_cell_angle_gamma   33.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInBi2
_chemical_formula_sum   'Sc1 In1 Bi2'
_cell_volume   108.76
_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  Sc3  1  0.39  0.0  0.31  1.0
  In  In2  1  0.03  0.0  0.64  1.0
  Bi  Bi0  1  0.16  0.0  0.13  1.0
  Bi  Bi1  1  0.85  0.0  0.89  1.0

data_ScInBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   5.49
_cell_length_c   6.09
_cell_angle_alpha   103.74
_cell_angle_beta   106.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScInBi2
_chemical_formula_sum   'Sc1 In1 Bi2'
_cell_volume   108.76
_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  0.31  0.39  1.0
  In  In1  1  0.0  0.64  0.03  1.0
  Bi  Bi2  1  0.0  0.13  0.16  1.0
  Bi  Bi3  1  0.0  0.89  0.85  1.0

Sc In Bi Bi
Sc In Bi Bi 0 2 o o o 1 3 - o o 2 3 - o - 