data_ScSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.11
_cell_angle_alpha   115.81
_cell_angle_beta   115.81
_cell_angle_gamma   40.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiBi2
_chemical_formula_sum   'Sc1 Si1 Bi2'
_cell_volume   96.55
_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  0.18  0.0  0.26  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.09  0.0  0.47  1.0
  Bi  Bi1  1  0.26  0.0  0.05  1.0

data_ScSiBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.98
_cell_length_b   5.11
_cell_length_c   5.72
_cell_angle_alpha   115.81
_cell_angle_beta   110.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSiBi2
_chemical_formula_sum   'Sc1 Si1 Bi2'
_cell_volume   96.55
_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  0.26  0.18  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Bi  Bi2  1  0.0  0.05  0.26  1.0
  Bi  Bi3  1  0.0  0.47  0.09  1.0

Sc Si Bi Bi