data_ScBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   7.67
_cell_length_c   3.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2
_chemical_formula_sum   'Sc2 Bi4'
_cell_volume   187.16
_cell_formula_units_Z   2
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  Sc4  1  0.0  0.0  0.0  1.0
  Sc  Sc5  1  0.35  0.84  0.82  1.0
  Bi  Bi0  1  0.05  0.9  0.0  1.0
  Bi  Bi1  1  0.66  0.78  0.0  1.0
  Bi  Bi2  1  0.4  0.61  0.82  1.0
  Bi  Bi3  1  0.3  0.06  0.82  1.0

data_ScBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   6.71
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBi2
_chemical_formula_sum   'Sc2 Bi4'
_cell_volume   187.16
_cell_formula_units_Z   2
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
  Sc  Sc1  1  0.82  0.35  0.84  1.0
  Bi  Bi2  1  -0.0  0.66  0.78  1.0
  Bi  Bi3  1  -0.0  0.05  0.9  1.0
  Bi  Bi4  1  0.82  0.3  0.06  1.0
  Bi  Bi5  1  0.82  0.4  0.61  1.0

Sc Sc Bi Bi Bi Bi
Sc Sc Bi Bi Bi Bi 0 2 o - o 1 5 o + o 1 4 o o o 1 3 o o + 3 4 o o - 