data_[Np2Zn2Ga12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.8657]
_cell_length_b [9.9829]
_cell_length_c [4.4045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [NpZnGa6]
_chemical_formula_sum '[Np2 Zn2 Ga12]'
_cell_volume [301.8828]
_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  0.5000  0.5000  1
  Zn  Zn1  2  0.0000  0.0000  0.5000  1
  Ga  Ga2  4  0.0000  0.2920  0.0000  1
  Ga  Ga3  4  0.2000  0.0000  0.0000  1
  Ga  Ga4  4  0.2500  0.2500  0.5000  1
]