data_[La4Ti4Se4O10]
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
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.6225]
_cell_length_b [5.6162]
_cell_length_c [12.4122]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.6991]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ti2Se2O5]
_chemical_formula_sum '[La4 Ti4 Se4 O10]'
_cell_volume [382.3531]
_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  0.1569  0.5000  0.3155  1.0
  Ti  Ti1  4  0.0539  0.0000  0.1492  1.0
  Se  Se2  4  0.2013  0.0000  0.4032  1.0
  O  O3  8  0.1493  0.2459  0.8166  1.0
  O  O4  2  0.0000  0.0000  0.0000  1.0
]