data_[Hf4Np4Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.0890]
_cell_length_b [6.3084]
_cell_length_c [6.3312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [HfNpSb3]
_chemical_formula_sum '[Hf4 Np4 Sb12]'
_cell_volume [522.7742]
_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
[
  Hf  Hf0  4  0.0956  0.2500  0.0000  1
  Np  Np1  4  0.3185  0.5088  0.2500  1
  Sb  Sb2  4  0.0822  0.6296  0.2500  1
  Sb  Sb3  4  0.2487  0.0068  0.2500  1
  Sb  Sb4  4  0.4973  0.2500  0.0000  1
]