data_[Np3Ga36Ni18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ga  1.8100  1.3000  0.7600
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.9802]
_cell_length_b [10.9802]
_cell_length_c [8.4169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Np(Ga2Ni)6]
_chemical_formula_sum '[Np3 Ga36 Ni18]'
_cell_volume [878.8267]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1
  Ga  Ga1  18  0.0000  0.3847  0.5000  1
  Ga  Ga2  18  0.0852  0.1703  0.3187  1
  Ni  Ni3  18  0.0518  0.5259  0.2428  1
]