data_[Gd2Fe20Mo4N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Fe  1.8300  1.4000  0.8525
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.7749]
_cell_length_b [8.6267]
_cell_length_c [8.6815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [GdFe10Mo2N]
_chemical_formula_sum '[Gd2 Fe20 Mo4 N2]'
_cell_volume [357.6028]
_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
[
  Gd  Gd0  2  0.0000  0.0000  0.0000  1
  Fe  Fe1  8  0.2500  0.2500  0.2500  1
  Fe  Fe2  4  0.0000  0.0000  0.3602  1
  Fe  Fe3  4  0.0000  0.2776  0.5000  1
  Fe  Fe4  4  0.0000  0.5000  0.2796  1
  Mo  Mo5  4  0.0000  0.3586  0.0000  1
  N  N6  2  0.0000  0.5000  0.5000  1
]