data_[Li1Nd1Pa2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Nd  1.1400  1.8500  1.2765
  Pa  1.5000  1.8000  1.0400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.6540]
_cell_length_b [5.6540]
_cell_length_c [5.7468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [LiNdPa2O8]
_chemical_formula_sum '[Li1 Nd1 Pa2 O8]'
_cell_volume [159.0978]
_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
[
  Li  Li0  1  0.0000  0.0000  0.0000  1
  Nd  Nd1  1  0.0000  0.0000  0.5000  1
  Pa  Pa2  2  0.3333  0.6667  0.9021  1
  O  O3  6  0.0595  0.3364  0.1755  1
  O  O4  2  0.3333  0.6667  0.5590  1
]