data_[Hf1Np2Sc1Sb4]
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
  Sc  1.3600  1.6000  0.8850
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3748]
_cell_length_b [4.2488]
_cell_length_c [7.4035]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [HfNp2ScSb4]
_chemical_formula_sum '[Hf1 Np2 Sc1 Sb4]'
_cell_volume [218.9625]
_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  0.0000  0.0000  0.0000  1
  Np  Np1  1  0.0000  0.5000  0.5000  1
  Np  Np2  1  0.5000  0.0000  0.5000  1
  Sc  Sc3  1  0.5000  0.5000  0.0000  1
  Sb  Sb4  2  0.2427  0.5000  0.2314  1
  Sb  Sb5  2  0.2546  0.0000  0.7682  1
]