data_[Np2Mn2Au22]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.5986]
_cell_length_b [13.3597]
_cell_length_c [7.2913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0938]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpMnAu11]
_chemical_formula_sum '[Np2 Mn2 Au22]'
_cell_volume [505.3126]
_cell_formula_units_Z [2]
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  0.0000  0.0000  1
  Mn  Mn1  2  0.0000  0.0000  0.5000  1
  Au  Au2  8  0.1172  0.6055  0.2162  1
  Au  Au3  8  0.1588  0.1682  0.3486  1
  Au  Au4  4  0.2500  0.2500  0.0000  1
  Au  Au5  2  0.0000  0.5000  0.5000  1
]