data_[Rb12Al4Bi8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Al  1.6100  1.2500  0.6750
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.5205]
_cell_length_b [4.5532]
_cell_length_c [14.1757]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3AlBi2]
_chemical_formula_sum '[Rb12 Al4 Bi8]'
_cell_volume [1180.1659]
_cell_formula_units_Z [4]
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  Rb0  4  0.0393  0.0000  0.2317  1
  Rb  Rb1  4  0.1593  0.5000  0.0038  1
  Rb  Rb2  4  0.2316  0.0000  0.6181  1
  Al  Al3  4  0.0736  0.5000  0.6490  1
  Bi  Bi4  4  0.0835  0.5000  0.4541  1
  Bi  Bi5  4  0.1406  0.0000  0.7814  1
]