data_[Fe2W2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [3.0311]
_cell_length_b [3.0311]
_cell_length_c [10.3119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [FeWN2]
_chemical_formula_sum '[Fe2 W2 N4]'
_cell_volume [82.0502]
_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
[
  Fe  Fe0  2  0.0000  0.0000  0.0141  1
  W  W1  2  0.3333  0.6667  0.7074  1
  N  N2  2  0.0000  0.0000  0.3198  1
  N  N3  2  0.3333  0.6667  0.0587  1
]