data_[Na2Ti2Si4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P-1]
_cell_length_a [5.3146]
_cell_length_b [6.6508]
_cell_length_c [6.6544]
_cell_angle_alpha [83.5469]
_cell_angle_beta [77.8989]
_cell_angle_gamma [77.9594]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [NaTi(SiO3)2]
_chemical_formula_sum '[Na2 Ti2 Si4 O12]'
_cell_volume [224.3436]
_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
[
  Na  Na0  2  0.2471  0.1948  0.2997  1.0
  Ti  Ti1  2  0.2508  0.5894  0.9115  1.0
  Si  Si2  2  0.2414  0.1148  0.7988  1.0
  Si  Si3  2  0.2586  0.6993  0.3862  1.0
  O  O4  2  0.0158  0.1418  0.6545  1.0
  O  O5  2  0.1505  0.2946  0.9642  1.0
  O  O6  2  0.1956  0.6080  0.6223  1.0
  O  O7  2  0.3057  0.8793  0.8924  1.0
  O  O8  2  0.3478  0.5340  0.2065  1.0
  O  O9  2  0.4845  0.8433  0.3590  1.0
]