data_[Sr2Ti2Si4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [C2]
_cell_length_a [6.9221]
_cell_length_b [8.4941]
_cell_length_c [4.6588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2181]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [SrTiSi2O7]
_chemical_formula_sum '[Sr2 Ti2 Si4 O14]'
_cell_volume [270.3886]
_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
[
  Sr  Sr0  2  0.0000  0.2799  0.5000  1.0
  Ti  Ti1  2  0.0000  0.6850  0.5000  1.0
  Si  Si2  4  0.2124  0.0079  0.9265  1.0
  O  O3  4  0.1347  0.5032  0.7730  1.0
  O  O4  4  0.1629  0.8429  0.7400  1.0
  O  O5  4  0.2099  0.6416  0.2864  1.0
  O  O6  2  0.0000  0.0833  0.0000  1.0
]