data_[La4Ti6Cu2O20]
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
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8448]
_cell_length_b [3.8448]
_cell_length_c [26.6595]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [La2Ti3CuO10]
_chemical_formula_sum '[La4 Ti6 Cu2 O20]'
_cell_volume [394.1024]
_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
[
  La  La0  4  0.0000  0.5000  0.6675  1.0
  Ti  Ti1  4  0.0000  0.5000  0.0896  1.0
  Ti  Ti2  2  0.0000  0.5000  0.2500  1.0
  Cu  Cu3  2  0.0000  0.0000  0.5000  1.0
  O  O4  4  0.0000  0.0000  0.1067  1.0
  O  O5  4  0.0000  0.0000  0.2502  1.0
  O  O6  4  0.0000  0.0000  0.3951  1.0
  O  O7  4  0.0000  0.5000  0.0217  1.0
  O  O8  4  0.0000  0.5000  0.1767  1.0
]