data_[Np4H4Au4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  H  2.2000  0.2500  0.0000
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.0454]
_cell_length_b [3.4804]
_cell_length_c [9.0567]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpHAu]
_chemical_formula_sum '[Np4 H4 Au4]'
_cell_volume [181.5529]
_cell_formula_units_Z [4]
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  4  0.1317  0.5000  0.9223  1
  H  H1  4  0.0905  0.0000  0.1858  1
  Au  Au2  4  0.0990  0.0000  0.3851  1
]