data_[Nd2Pa2Be2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Pa  1.5000  1.8000  1.0400
  Be  1.5700  1.0500  0.5900
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.9648]
_cell_length_b [3.3918]
_cell_length_c [7.2609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8249]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NdPaBeN3]
_chemical_formula_sum '[Nd2 Pa2 Be2 N6]'
_cell_volume [169.0114]
_cell_formula_units_Z [2]
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
[
  Nd  Nd0  2  0.2070  0.7500  0.1673  1
  Pa  Pa1  2  0.1910  0.7500  0.6565  1
  Be  Be2  2  0.4044  0.2500  0.9282  1
  N  N3  2  0.1371  0.2500  0.4200  1
  N  N4  2  0.1560  0.2500  0.8768  1
  N  N5  2  0.4906  0.7500  0.8447  1
]