data_[Mg4Pa8Nb4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  Nb  1.6000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.3623]
_cell_length_b [13.4521]
_cell_length_c [10.0500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MgPa2NbN5]
_chemical_formula_sum '[Mg4 Pa8 Nb4 N20]'
_cell_volume [454.5689]
_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
[
  Mg  Mg0  4  0.0000  0.4774  0.4766  1
  Pa  Pa1  4  0.0000  0.1190  0.6933  1
  Pa  Pa2  4  0.0000  0.1322  0.2794  1
  Nb  Nb3  4  0.0000  0.2106  0.9990  1
  N  N4  4  0.0000  0.0646  0.0664  1
  N  N5  4  0.0000  0.2822  0.6560  1
  N  N6  4  0.0000  0.3089  0.3579  1
  N  N7  4  0.0000  0.3645  0.0191  1
  N  N8  4  0.0000  0.4910  0.7763  1
]