data_[Cs8Ti4Si4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ti  1.5400  1.4000  0.8517
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [5.8151]
_cell_length_b [12.6057]
_cell_length_c [8.3201]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TiSiO4]
_chemical_formula_sum '[Cs8 Ti4 Si4 O16]'
_cell_volume [609.8924]
_cell_formula_units_Z [4]
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  4  0.0000  0.0892  0.5736  1
  Cs  Cs1  4  0.0000  0.4239  0.7376  1
  Ti  Ti2  4  0.0000  0.3007  0.3046  1
  Si  Si3  4  0.0000  0.1880  0.0207  1
  O  O4  8  0.2288  0.1442  0.9243  1
  O  O5  4  0.0000  0.1449  0.2087  1
  O  O6  4  0.0000  0.3176  0.0529  1
]