data_[Np2Be2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Be  1.5700  1.0500  0.5900
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [6.0103]
_cell_length_b [6.0103]
_cell_length_c [5.3373]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [NpBeAu3]
_chemical_formula_sum '[Np2 Be2 Au6]'
_cell_volume [192.8008]
_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  0.5000  1
  Be  Be1  2  0.0000  0.5000  0.7848  1
  Au  Au2  4  0.2500  0.2500  0.0000  1
  Au  Au3  2  0.0000  0.5000  0.3608  1
]