data_SiBi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63
_cell_length_b   8.63
_cell_length_c   8.63
_cell_angle_alpha   150.15
_cell_angle_beta   150.15
_cell_angle_gamma   42.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi4
_chemical_formula_sum   'Si1 Bi4'
_cell_volume   158.93
_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  Si4  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.22  0.0  0.02  1.0
  Bi  Bi1  1  0.0  0.22  0.02  1.0
  Bi  Bi2  1  0.0  0.0  0.52  1.0
  Bi  Bi3  1  0.0  0.0  0.55  1.0

data_SiBi4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   8.63
_cell_angle_alpha   90.0
_cell_angle_beta   111.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiBi4
_chemical_formula_sum   'Si2 Bi8'
_cell_volume   317.86
_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
  Si  Si0  2  0.0  0.0  0.0  1.0
  Bi  Bi1  4  0.11  0.11  0.2  1.0
  Bi  Bi2  2  0.0  0.0  0.45  1.0
  Bi  Bi3  2  0.0  0.0  0.48  1.0

Si Bi Bi Bi Bi