data_SiBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   116.99
_cell_angle_beta   116.99
_cell_angle_gamma   116.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi3
_chemical_formula_sum   'Si1 Bi3'
_cell_volume   112.04
_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
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.12  0.11  1.0
  Bi  Bi1  1  0.7  0.44  0.11  1.0
  Bi  Bi2  1  0.3  0.44  0.11  1.0

data_SiBi3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   116.99
_cell_angle_beta   100.1
_cell_angle_gamma   100.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi3
_chemical_formula_sum   'Si1 Bi3'
_cell_volume   112.04
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.11  0.81  0.67  1.0
  Bi  Bi2  1  0.11  0.41  0.67  1.0
  Bi  Bi3  1  0.11  0.11  0.99  1.0

Si Bi Bi Bi