data_ScBeBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.48
_cell_length_b   8.48
_cell_length_c   8.48
_cell_angle_alpha   26.18
_cell_angle_beta   26.18
_cell_angle_gamma   26.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScBeBi2
_chemical_formula_sum   'Sc1 Be1 Bi2'
_cell_volume   104.67
_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  0.0  0.0  0.88  1.0
  Be  Be0  1  0.0  0.0  0.17  1.0
  Bi  Bi1  1  0.0  0.0  0.62  1.0
  Bi  Bi2  1  0.0  0.0  0.74  1.0

data_ScBeBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.65
_cell_length_b   3.84
_cell_length_c   8.48
_cell_angle_alpha   90.0
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ScBeBi2
_chemical_formula_sum   'Sc2 Be2 Bi4'
_cell_volume   209.35
_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  0.0  0.0  0.12  1.0
  Be  Be1  2  0.0  0.0  0.83  1.0
  Bi  Bi2  2  0.0  0.0  0.26  1.0
  Bi  Bi3  2  0.0  0.0  0.38  1.0

Sc Be Bi Bi