data_[Li4Zr4Pa8N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3991]
_cell_length_b [13.0466]
_cell_length_c [10.3719]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiZrPa2N5]
_chemical_formula_sum '[Li4 Zr4 Pa8 N20]'
_cell_volume [459.9628]
_cell_formula_units_Z [4]
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  4  0.0000  0.4855  0.4768  1
  Zr  Zr1  4  0.0000  0.1971  0.9924  1
  Pa  Pa2  4  0.0000  0.1099  0.6680  1
  Pa  Pa3  4  0.0000  0.1290  0.2822  1
  N  N4  4  0.0000  0.0458  0.0778  1
  N  N5  4  0.0000  0.2871  0.6593  1
  N  N6  4  0.0000  0.3045  0.3599  1
  N  N7  4  0.0000  0.3614  0.0238  1
  N  N8  4  0.0000  0.4872  0.7838  1
]