data_[Y4Al1Fe1N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Al  1.6100  1.2500  0.6750
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.4650]
_cell_length_b [3.4650]
_cell_length_c [14.5644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Y4AlFeN2]
_chemical_formula_sum '[Y4 Al1 Fe1 N2]'
_cell_volume [151.4325]
_cell_formula_units_Z [1]
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
[
  Y  Y0  2  0.3333  0.6667  0.3635  1
  Y  Y1  2  0.6667  0.3333  0.1725  1
  Al  Al2  1  0.3333  0.6667  0.0000  1
  Fe  Fe3  1  0.6667  0.3333  0.5000  1
  N  N4  2  0.0000  0.0000  0.2605  1
]