data_[Yb2Fe1N3]
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 [Pmm2]
_cell_length_a [3.3424]
_cell_length_b [19.2539]
_cell_length_c [3.3750]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Yb2FeN3]
_chemical_formula_sum '[Yb2 Fe1 N3]'
_cell_volume [217.1988]
_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
[
  Yb  Yb0  2  0.0000  0.1105  0.2607  1
  Fe  Fe1  1  0.5000  0.0000  0.6817  1
  N  N2  2  0.5000  0.0998  0.7619  1
  N  N3  1  0.0000  0.0000  0.4036  1
]