data_[Rb24Er40Bi96]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Er  1.2400  1.7500  1.0300
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [19.5036]
_cell_length_b [19.5036]
_cell_length_c [19.5036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Rb3Er5Bi12]
_chemical_formula_sum '[Rb24 Er40 Bi96]'
_cell_volume [7419.0154]
_cell_formula_units_Z [8]
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  24  0.0000  0.2500  0.1250  1
  Er  Er1  24  0.0000  0.2500  0.3750  1
  Er  Er2  16  0.0000  0.0000  0.0000  1
  Bi  Bi3  96  0.0647  0.4255  0.1249  1
]