data_[Dy4Hf8Sc4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.5268]
_cell_length_b [6.5574]
_cell_length_c [9.2475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [DyHf2ScN4]
_chemical_formula_sum '[Dy4 Hf8 Sc4 N16]'
_cell_volume [395.7812]
_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
[
  Dy  Dy0  4  0.2500  0.2500  0.2500  1.0
  Hf  Hf1  4  0.0000  0.0000  0.5000  1.0
  Hf  Hf2  4  0.2500  0.2500  0.7500  1.0
  Sc  Sc3  4  0.0000  0.0000  0.0000  1.0
  N  N4  8  0.0000  0.0158  0.7470  1.0
  N  N5  8  0.2447  0.2500  0.5077  1.0
]