data_[Mg2Pa2Fe2N6]
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
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3987]
_cell_length_b [3.3347]
_cell_length_c [7.9416]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1650]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MgPaFeN3]
_chemical_formula_sum '[Mg2 Pa2 Fe2 N6]'
_cell_volume [169.0059]
_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
[
  Mg  Mg0  2  0.1397  0.7500  0.1302  1
  Pa  Pa1  2  0.3581  0.2500  0.8199  1
  Fe  Fe2  2  0.0385  0.7500  0.6073  1
  N  N3  2  0.1120  0.7500  0.8552  1
  N  N4  2  0.1630  0.2500  0.5688  1
  N  N5  2  0.3943  0.2500  0.1198  1
]