data_[Hf1Np1Ni14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Np  1.3600  1.7500  1.0000
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.2240]
_cell_length_b [5.2240]
_cell_length_c [7.0903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [HfNpNi14]
_chemical_formula_sum '[Hf1 Np1 Ni14]'
_cell_volume [193.4942]
_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
[
  Hf  Hf0  1  0.5000  0.5000  0.5000  1
  Np  Np1  1  0.0000  0.0000  0.5000  1
  Ni  Ni2  8  0.2493  0.2493  0.2369  1
  Ni  Ni3  2  0.0000  0.5000  0.0000  1
  Ni  Ni4  2  0.0000  0.5000  0.5000  1
  Ni  Ni5  1  0.0000  0.0000  0.0000  1
  Ni  Ni6  1  0.5000  0.5000  0.0000  1
]