data_[Ho4Fe4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  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 [10.7746]
_cell_length_b [3.5943]
_cell_length_c [7.4211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2243]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HoFeN3]
_chemical_formula_sum '[Ho4 Fe4 N12]'
_cell_volume [275.9565]
_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
[
  Ho  Ho0  4  0.1715  0.0000  0.8020  1
  Fe  Fe1  4  0.0465  0.5000  0.1616  1
  N  N2  4  0.1113  0.5000  0.3983  1
  N  N3  4  0.1305  0.5000  0.9747  1
  N  N4  4  0.1482  0.5000  0.5657  1
]