data_[La4Ti4Si4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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/c]
_cell_length_a [6.6678]
_cell_length_b [9.0896]
_cell_length_c [7.0151]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LaTiSiO5]
_chemical_formula_sum '[La4 Ti4 Si4 O20]'
_cell_volume [393.1273]
_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
[
  La  La0  4  0.0000  0.1619  0.2500  1
  Ti  Ti1  4  0.0000  0.5000  0.0000  1
  Si  Si2  4  0.0000  0.1835  0.7500  1
  O  O3  8  0.1106  0.2862  0.6230  1
  O  O4  8  0.1722  0.0738  0.9223  1
  O  O5  4  0.0000  0.4199  0.2500  1
]