data_[Y8Lu16Fe12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Lu  1.2700  1.7500  1.0010
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.9161]
_cell_length_b [5.7147]
_cell_length_c [14.5815]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.8470]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Y2Lu4(FeN)3]
_chemical_formula_sum '[Y8 Lu16 Fe12 N12]'
_cell_volume [802.2835]
_cell_formula_units_Z [4]
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  8  0.0413  0.4173  0.8806  1
  Lu  Lu1  8  0.1139  0.0891  0.0895  1
  Lu  Lu2  8  0.2218  0.0811  0.4106  1
  Fe  Fe3  8  0.2438  0.3395  0.2497  1
  Fe  Fe4  4  0.0000  0.0815  0.2500  1
  N  N5  8  0.0837  0.2491  0.5001  1
  N  N6  4  0.2500  0.2500  0.0000  1
]