data_[Ba4Pr8Pa4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Pa  1.5000  1.8000  1.0400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [7.3538]
_cell_length_b [7.4543]
_cell_length_c [10.6651]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [BaPr2PaN4]
_chemical_formula_sum '[Ba4 Pr8 Pa4 N16]'
_cell_volume [584.6397]
_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
[
  Ba  Ba0  4  0.2500  0.2500  0.2500  1
  Pr  Pr1  4  0.0000  0.0000  0.0000  1
  Pr  Pr2  4  0.2500  0.2500  0.7500  1
  Pa  Pa3  4  0.0000  0.0000  0.5000  1
  N  N4  8  0.0000  0.0214  0.7067  1
  N  N5  8  0.2363  0.2500  0.5100  1
]