data_[Hf2Np2Nb2]
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
  Nb  1.6000  1.4500  0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [2.8292]
_cell_length_b [2.8719]
_cell_length_c [15.6569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [HfNpNb]
_chemical_formula_sum '[Hf2 Np2 Nb2]'
_cell_volume [127.2143]
_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  0.5000  0.6639  1
  Np  Np1  2  0.0000  0.0000  0.8383  1
  Nb  Nb2  2  0.0000  0.0000  0.4978  1
]