data_[Hf4Sc2U2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.6343]
_cell_length_b [4.6343]
_cell_length_c [9.1764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Hf2ScUN4]
_chemical_formula_sum '[Hf4 Sc2 U2 N8]'
_cell_volume [197.0777]
_cell_formula_units_Z [2]
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
[
  Hf  Hf0  2  0.0000  0.0000  0.0000  1
  Hf  Hf1  2  0.0000  0.5000  0.7500  1
  Sc  Sc2  2  0.0000  0.0000  0.5000  1
  U  U3  2  0.0000  0.5000  0.2500  1
  N  N4  4  0.0000  0.0000  0.2492  1
  N  N5  4  0.0000  0.5000  0.0010  1
]