data_[Ho2Pa2Fe2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [I4mm]
_cell_length_a [3.6982]
_cell_length_b [3.6982]
_cell_length_c [11.9560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [HoPaFeN4]
_chemical_formula_sum '[Ho2 Pa2 Fe2 N8]'
_cell_volume [163.5211]
_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
[
  Ho  Ho0  2  0.0000  0.0000  0.6406  1
  Pa  Pa1  2  0.0000  0.0000  0.3591  1
  Fe  Fe2  2  0.0000  0.0000  0.0038  1
  N  N3  4  0.0000  0.5000  0.4951  1
  N  N4  2  0.0000  0.0000  0.1781  1
  N  N5  2  0.0000  0.0000  0.8280  1
]