data_[Np8Zn12Ga16]
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 [Cmce]
_cell_length_a [5.6795]
_cell_length_b [15.2991]
_cell_length_c [7.6843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Np2Zn3Ga4]
_chemical_formula_sum '[Np8 Zn12 Ga16]'
_cell_volume [667.6955]
_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  8  0.0000  0.0984  0.3938  1
  Zn  Zn1  8  0.2500  0.2330  0.7500  1
  Zn  Zn2  4  0.0000  0.0000  0.0000  1
  Ga  Ga3  8  0.0000  0.1757  0.0185  1
  Ga  Ga4  8  0.2500  0.0662  0.7500  1
]