data_[Mg8Pa4N12]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5701]
_cell_length_b [4.7234]
_cell_length_c [9.7947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Mg2PaN3]
_chemical_formula_sum '[Mg8 Pa4 N12]'
_cell_volume [303.9610]
_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  0.0990  0.7500  0.7489  1
  Mg  Mg1  4  0.1302  0.7500  0.4193  1
  Pa  Pa2  4  0.1513  0.7500  0.0883  1
  N  N3  4  0.0972  0.2500  0.7507  1
  N  N4  4  0.1209  0.2500  0.0765  1
  N  N5  4  0.1348  0.2500  0.4219  1
]