data_[Dy4Np4Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Dy  1.2200  1.7500  1.1310
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.9394]
_cell_length_b [4.7702]
_cell_length_c [6.7590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.4119]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [DyNpFe]
_chemical_formula_sum '[Dy4 Np4 Fe4]'
_cell_volume [244.0006]
_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
[
  Dy  Dy0  4  0.0894  0.0000  0.3599  1
  Np  Np1  4  0.1259  0.5000  0.0068  1
  Fe  Fe2  4  0.1524  0.5000  0.7190  1
]