data_[Rb96Ag40As24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [20.6219]
_cell_length_b [20.6219]
_cell_length_c [20.6219]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Rb12Ag5As3]
_chemical_formula_sum '[Rb96 Ag40 As24]'
_cell_volume [8769.7049]
_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  96  0.0155  0.0761  0.6552  1
  Ag  Ag1  24  0.0000  0.2500  0.3750  1
  Ag  Ag2  16  0.0000  0.0000  0.0000  1
  As  As3  24  0.0000  0.2500  0.1250  1
]