data_[Cs2Al2S4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.2873]
_cell_length_b [5.0718]
_cell_length_c [8.8020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsAl(SO4)2]
_chemical_formula_sum '[Cs2 Al2 S4 O16]'
_cell_volume [368.8146]
_cell_formula_units_Z [2]
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
[
  Cs  Cs0  2  0.0000  0.0000  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.5000  1.0
  S  S2  4  0.1364  0.5000  0.3234  1.0
  O  O3  8  0.0353  0.2611  0.3489  1.0
  O  O4  4  0.1799  0.5000  0.1659  1.0
  O  O5  4  0.2219  0.0000  0.5632  1.0
]