data_[Yb4Fe4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  Fe  1.8300  1.4000  0.8525
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8196]
_cell_length_b [3.6363]
_cell_length_c [7.2578]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9070]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YbFeN3]
_chemical_formula_sum '[Yb4 Fe4 N12]'
_cell_volume [280.3880]
_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
[
  Yb  Yb0  4  0.1841  0.0000  0.7919  1.0
  Fe  Fe1  4  0.0345  0.5000  0.1559  1.0
  N  N2  4  0.1016  0.5000  0.3916  1.0
  N  N3  4  0.1240  0.5000  0.9740  1.0
  N  N4  4  0.1443  0.5000  0.5542  1.0
]