data_[La4Pr2Fe4B4N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  B  2.0400  0.8500  0.4100
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.6539]
_cell_length_b [3.6539]
_cell_length_c [20.9019]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [La2PrFe2B2N3]
_chemical_formula_sum '[La4 Pr2 Fe4 B4 N6]'
_cell_volume [279.0665]
_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
[
  La  La0  4  0.0000  0.0000  0.3732  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Fe  Fe2  4  0.0000  0.5000  0.2500  1
  B  B3  4  0.0000  0.0000  0.1913  1
  N  N4  4  0.0000  0.0000  0.1211  1
  N  N5  2  0.0000  0.0000  0.5000  1
]