data_[Li16Pa2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_3cm]
_cell_length_a [5.8724]
_cell_length_b [5.8724]
_cell_length_c [11.0436]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [185]
_chemical_formula_structural [Li8PaO6]
_chemical_formula_sum '[Li16 Pa2 O12]'
_cell_volume [329.8168]
_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
[
  Li  Li0  6  0.0000  0.3175  0.2687  1
  Li  Li1  6  0.0000  0.4370  0.6241  1
  Li  Li2  4  0.3333  0.6667  0.4017  1
  Pa  Pa3  2  0.0000  0.0000  0.4985  1
  O  O4  6  0.0000  0.3463  0.4489  1
  O  O5  4  0.3333  0.6667  0.2125  1
  O  O6  2  0.0000  0.0000  0.1936  1
]