data_[Np4Zn4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9921]
_cell_length_b [3.0107]
_cell_length_c [8.7368]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.0725]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpZnNi]
_chemical_formula_sum '[Np4 Zn4 Ni4]'
_cell_volume [193.4068]
_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  0.1732  0.0000  0.5684  1
  Zn  Zn1  4  0.1681  0.5000  0.0716  1
  Ni  Ni2  4  0.0470  0.5000  0.7513  1
]