data_[Sm2Np1Fe1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [4.5543]
_cell_length_b [5.2110]
_cell_length_c [7.2900]
_cell_angle_alpha [82.9236]
_cell_angle_beta [87.4768]
_cell_angle_gamma [83.9208]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm2NpFeO8]
_chemical_formula_sum '[Sm2 Np1 Fe1 O8]'
_cell_volume [170.6399]
_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
[
  Sm  Sm0  2  0.4101  0.4830  0.2645  1
  Np  Np1  1  0.0000  0.0000  0.0000  1
  Fe  Fe2  1  0.0000  0.0000  0.5000  1
  O  O3  2  0.1200  0.2895  0.8284  1
  O  O4  2  0.1393  0.1295  0.2583  1
  O  O5  2  0.2864  0.7152  0.5078  1
  O  O6  2  0.3666  0.7667  0.9766  1
]