data_Rb3Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.4
_cell_length_b   8.4
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3Bi
_chemical_formula_sum   'Rb6 Bi2'
_cell_volume   398.67
_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
  Rb  Rb2  1  0.0  0.68  0.89  1.0
  Rb  Rb3  1  0.88  0.94  0.89  1.0
  Rb  Rb4  1  0.12  0.94  0.89  1.0
  Rb  Rb5  1  0.2  0.59  0.63  1.0
  Rb  Rb6  1  0.32  0.34  0.63  1.0
  Rb  Rb7  1  0.08  0.34  0.63  1.0
  Bi  Bi0  1  0.0  0.85  0.63  1.0
  Bi  Bi1  1  0.2  0.43  0.89  1.0

data_Rb3Bi
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.52
_cell_length_b   8.4
_cell_length_c   8.4
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Rb3Bi
_chemical_formula_sum   'Rb6 Bi2'
_cell_volume   398.67
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Rb  Rb0  2  0.37  0.1  0.46  1.0
  Rb  Rb1  2  0.37  0.22  0.2  1.0
  Rb  Rb2  2  0.37  0.98  0.2  1.0
  Bi  Bi3  2  0.37  0.9  0.71  1.0

Rb Rb Rb Rb Rb Rb Bi Bi
Rb Rb Rb Rb Rb Rb Bi Bi 0 6 o o o 0 2 o o o 1 6 + o o 1 2 + o o 2 6 o o o 3 7 o o o 3 5 o o o 4 7 o o o 4 5 o o o 5 7 o o o 