data_[Li3La3Pa12N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.1238]
_cell_length_b [7.1238]
_cell_length_c [15.8550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [LiLa(PaN2)4]
_chemical_formula_sum '[Li3 La3 Pa12 N24]'
_cell_volume [696.8150]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0067  1
  La  La1  3  0.0000  0.0000  0.3840  1
  Pa  Pa2  9  0.1686  0.3372  0.8319  1
  Pa  Pa3  3  0.0000  0.0000  0.6092  1
  N  N4  9  0.0372  0.5186  0.7659  1
  N  N5  9  0.1713  0.3425  0.5728  1
  N  N6  3  0.0000  0.0000  0.2343  1
  N  N7  3  0.0000  0.0000  0.7541  1
]