data_SiBi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.61
_cell_length_b   10.61
_cell_length_c   10.61
_cell_angle_alpha   154.21
_cell_angle_beta   154.21
_cell_angle_gamma   36.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiBi3
_chemical_formula_sum   'Si2 Bi6'
_cell_volume   225.95
_cell_formula_units_Z   2
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  Si6  1  0.0  0.0  0.59  1.0
  Si  Si7  1  0.0  0.0  0.55  1.0
  Bi  Bi0  1  0.0  0.37  0.0  1.0
  Bi  Bi1  1  0.37  0.0  0.0  1.0
  Bi  Bi2  1  0.37  0.0  0.04  1.0
  Bi  Bi3  1  0.0  0.37  0.04  1.0
  Bi  Bi4  1  0.0  0.0  0.63  1.0
  Bi  Bi5  1  0.0  0.0  0.51  1.0

data_SiBi3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.7
_cell_length_b   6.7
_cell_length_c   10.61
_cell_angle_alpha   90.0
_cell_angle_beta   108.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SiBi3
_chemical_formula_sum   'Si4 Bi12'
_cell_volume   451.9
_cell_formula_units_Z   4
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  0.05  0.5  0.55  1.0
  Si  Si1  2  0.09  0.5  0.59  1.0
  Bi  Bi2  4  0.32  0.68  0.63  1.0
  Bi  Bi3  4  0.35  0.32  0.67  1.0
  Bi  Bi4  2  0.01  0.5  0.51  1.0
  Bi  Bi5  2  0.13  0.5  0.63  1.0

Si Si Bi Bi Bi Bi Bi Bi