data_[Np1Mn1Fe2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.4056]
_cell_length_b [5.4285]
_cell_length_c [5.7461]
_cell_angle_alpha [62.7202]
_cell_angle_beta [62.8846]
_cell_angle_gamma [60.2862]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NpMn(FeO3)2]
_chemical_formula_sum '[Np1 Mn1 Fe2 O6]'
_cell_volume [124.3194]
_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  1  0.3203  0.3240  0.0355  1
  Mn  Mn1  1  0.8137  0.8150  0.5621  1
  Fe  Fe2  1  0.0236  0.0035  0.9496  1
  Fe  Fe3  1  0.5242  0.5292  0.4253  1
  O  O4  1  0.1144  0.4106  0.7660  1
  O  O5  1  0.2160  0.9342  0.2437  1
  O  O6  1  0.4204  0.7074  0.7517  1
  O  O7  1  0.5828  0.2328  0.2593  1
  O  O8  1  0.7174  0.1061  0.7717  1
  O  O9  1  0.9287  0.5987  0.2503  1
]