data_[Rb16Al16As24]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.0850]
_cell_length_b [15.0387]
_cell_length_c [7.1997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2Al2As3]
_chemical_formula_sum '[Rb16 Al16 As24]'
_cell_volume [1695.5118]
_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  0.0994  0.0890  0.6289  1
  Rb  Rb1  4  0.0000  0.2947  0.2500  1
  Rb  Rb2  4  0.0000  0.4295  0.7500  1
  Al  Al3  8  0.1967  0.2862  0.1293  1
  Al  Al4  8  0.2242  0.4298  0.6375  1
  As  As5  8  0.1328  0.1375  0.1595  1
  As  As6  8  0.1669  0.2986  0.7624  1
  As  As7  8  0.1713  0.4328  0.2587  1
]