data_[La2Pa2Ti4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pa  1.5000  1.8000  1.0400
  Ti  1.5400  1.4000  0.8517
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2281]
_cell_length_b [5.2281]
_cell_length_c [11.3939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [LaPaTi2O8]
_chemical_formula_sum '[La2 Pa2 Ti4 O16]'
_cell_volume [311.4283]
_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  2  0.0000  0.5000  0.2500  1
  Pa  Pa1  2  0.0000  0.0000  0.0000  1
  Ti  Ti2  2  0.0000  0.0000  0.5000  1
  Ti  Ti3  2  0.0000  0.5000  0.7500  1
  O  O4  8  0.1519  0.7555  0.8392  1
  O  O5  8  0.1767  0.2603  0.4240  1
]