data_ScGeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.24
_cell_length_c   5.37
_cell_angle_alpha   111.78
_cell_angle_beta   111.78
_cell_angle_gamma   31.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeBi2
_chemical_formula_sum   'Sc1 Ge1 Bi2'
_cell_volume   102.16
_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  0.8  0.0  0.18  1.0
  Ge  Ge2  1  0.71  0.0  0.57  1.0
  Bi  Bi0  1  0.07  0.0  0.19  1.0
  Bi  Bi1  1  0.33  0.0  0.49  1.0

data_ScGeBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   5.37
_cell_length_c   6.24
_cell_angle_alpha   111.78
_cell_angle_beta   105.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScGeBi2
_chemical_formula_sum   'Sc1 Ge1 Bi2'
_cell_volume   102.16
_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  0.18  0.8  1.0
  Ge  Ge1  1  0.0  0.57  0.71  1.0
  Bi  Bi2  1  0.0  0.19  0.07  1.0
  Bi  Bi3  1  0.0  0.49  0.33  1.0

Sc Ge Bi Bi