data_[Rb16P8Au24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [8.9281]
_cell_length_b [10.6849]
_cell_length_c [15.3608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Rb2PAu3]
_chemical_formula_sum '[Rb16 P8 Au24]'
_cell_volume [1465.3482]
_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  8  0.0000  0.2428  0.0000  1
  Rb  Rb1  8  0.2500  0.2500  0.2500  1
  P  P2  8  0.0000  0.0000  0.3343  1
  Au  Au3  16  0.2320  0.0000  0.4103  1
  Au  Au4  8  0.0000  0.0000  0.1789  1
]