data_[Li4Pa8V4N20]
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
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2580]
_cell_length_b [13.0975]
_cell_length_c [9.6295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiPa2VN5]
_chemical_formula_sum '[Li4 Pa8 V4 N20]'
_cell_volume [410.9029]
_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  0.4709  0.4667  1
  Pa  Pa1  4  0.0000  0.1156  0.6900  1
  Pa  Pa2  4  0.0000  0.1367  0.3063  1
  V  V3  4  0.0000  0.1922  0.0091  1
  N  N4  4  0.0000  0.0645  0.0546  1
  N  N5  4  0.0000  0.2866  0.6597  1
  N  N6  4  0.0000  0.3069  0.3650  1
  N  N7  4  0.0000  0.3609  0.0056  1
  N  N8  4  0.0000  0.4944  0.7669  1
]