data_[Np2Fe1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0386]
_cell_length_b [4.0386]
_cell_length_c [8.5950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Np2FeAs4]
_chemical_formula_sum '[Np2 Fe1 As4]'
_cell_volume [140.1851]
_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
[
  Np  Np0  2  0.0000  0.5000  0.2337  1
  Fe  Fe1  1  0.5000  0.5000  0.0000  1
  As  As2  2  0.0000  0.5000  0.8581  1
  As  As3  1  0.0000  0.0000  0.5000  1
  As  As4  1  0.5000  0.5000  0.5000  1
]