data_BaSiBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24
_cell_length_b   9.24
_cell_length_c   9.24
_cell_angle_alpha   26.16
_cell_angle_beta   26.16
_cell_angle_gamma   26.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSiBi2
_chemical_formula_sum   'Ba1 Si1 Bi2'
_cell_volume   135.1
_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
  Ba  Ba0  1  0.0  0.0  0.38  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.0  0.51  1.0
  Bi  Bi2  1  0.0  0.0  0.25  1.0

data_BaSiBi2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.24
_cell_length_b   4.18
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   105.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaSiBi2
_chemical_formula_sum   'Ba2 Si2 Bi4'
_cell_volume   270.2
_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
  Ba  Ba0  2  0.0  0.0  0.62  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.0  0.0  0.49  1.0
  Bi  Bi3  2  0.0  0.0  0.75  1.0

Ba Si Bi Bi
Ba Si Bi Bi 0 3 o o o 0 2 o o o 1 3 o o o 