data_[Nd2Np1Fe1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Np  1.3600  1.7500  1.0000
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.5784]
_cell_length_b [5.2544]
_cell_length_c [7.3727]
_cell_angle_alpha [82.6641]
_cell_angle_beta [87.0990]
_cell_angle_gamma [83.8047]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Nd2NpFeO8]
_chemical_formula_sum '[Nd2 Np1 Fe1 O8]'
_cell_volume [174.7611]
_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
[
  Nd  Nd0  2  0.4011  0.4824  0.2650  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Fe  Fe2  1  0.0000  0.0000  0.5000  1
  O  O3  2  0.1255  0.2893  0.8333  1
  O  O4  2  0.1423  0.1170  0.2585  1
  O  O5  2  0.2766  0.7110  0.5123  1
  O  O6  2  0.3625  0.7680  0.9749  1
]