data_[Np8Ni20Ge12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0396]
_cell_length_b [22.6422]
_cell_length_c [6.7509]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Np2Ni5Ge3]
_chemical_formula_sum '[Np8 Ni20 Ge12]'
_cell_volume [617.4775]
_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  0.0000  0.1682  0.2377  1
  Np  Np1  4  0.0000  0.4988  0.2596  1
  Ni  Ni2  4  0.0000  0.0446  0.0436  1
  Ni  Ni3  4  0.0000  0.1270  0.7907  1
  Ni  Ni4  4  0.0000  0.2696  0.9716  1
  Ni  Ni5  4  0.0000  0.2947  0.3533  1
  Ni  Ni6  4  0.0000  0.3797  0.0693  1
  Ge  Ge7  4  0.0000  0.0652  0.4918  1
  Ge  Ge8  4  0.0000  0.2257  0.6550  1
  Ge  Ge9  4  0.0000  0.3904  0.4922  1
]