data_CdSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.09
_cell_length_b   8.09
_cell_length_c   8.09
_cell_angle_alpha   29.17
_cell_angle_beta   29.17
_cell_angle_gamma   29.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CdSiBi2
_chemical_formula_sum   'Cd1 Si1 Bi2'
_cell_volume   111.09
_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
  Cd  Cd2  1  0.0  0.0  0.6  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.0  0.0  0.15  1.0
  Bi  Bi1  1  0.0  0.0  0.06  1.0

data_CdSiBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.05
_cell_length_b   4.07
_cell_length_c   8.09
_cell_angle_alpha   90.0
_cell_angle_beta   106.9
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CdSiBi2
_chemical_formula_sum   'Cd2 Si2 Bi4'
_cell_volume   222.17
_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
  Cd  Cd0  2  -0.0  0.0  0.4  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  -0.0  0.0  0.85  1.0
  Bi  Bi3  2  -0.0  0.0  0.94  1.0

Cd Si Bi Bi
Cd Si Bi Bi 0 0 o + - 0 0 + - o 0 0 + o - 0 3 o o o 0 3 o o + 0 2 o o o 0 2 o o + 0 1 + o o 0 1 o + o 0 1 o o + 1 3 o o o 2 3 o o o 