data_ScSi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.5
_cell_length_b   5.5
_cell_length_c   3.36
_cell_angle_alpha   99.41
_cell_angle_beta   99.41
_cell_angle_gamma   115.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Bi
_chemical_formula_sum   'Sc1 Si2 Bi1'
_cell_volume   87.68
_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  Sc1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.96  0.32  0.6  1.0
  Si  Si3  1  0.96  0.68  0.6  1.0
  Bi  Bi0  1  0.95  0.0  0.0  1.0

data_ScSi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   5.5
_cell_length_c   5.5
_cell_angle_alpha   115.15
_cell_angle_beta   99.41
_cell_angle_gamma   99.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi2Bi
_chemical_formula_sum   'Sc1 Si2 Bi1'
_cell_volume   87.68
_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  0.0  0.0  1.0
  Si  Si1  1  0.6  0.96  0.32  1.0
  Si  Si2  1  0.6  0.96  0.68  1.0
  Bi  Bi3  1  -0.0  0.95  0.0  1.0

Sc Si Si Bi