data_[La2Ti2Zn1O8]
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
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.7233]
_cell_length_b [3.7233]
_cell_length_c [12.7863]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [La2Ti2ZnO8]
_chemical_formula_sum '[La2 Ti2 Zn1 O8]'
_cell_volume [177.2566]
_cell_formula_units_Z [1]
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  2  0.0000  0.5000  0.3862  1.0
  Ti  Ti1  2  0.0000  0.5000  0.7903  1.0
  Zn  Zn2  1  0.5000  0.5000  0.0000  1.0
  O  O3  2  0.0000  0.0000  0.2535  1.0
  O  O4  2  0.0000  0.5000  0.5728  1.0
  O  O5  2  0.0000  0.5000  0.9319  1.0
  O  O6  2  0.5000  0.5000  0.2500  1.0
]