data_[Np3Zn51Tc3]
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
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.1331]
_cell_length_b [9.1331]
_cell_length_c [12.8500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [NpZn17Tc]
_chemical_formula_sum '[Np3 Zn51 Tc3]'
_cell_volume [928.2577]
_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  0.6355  1
  Zn  Zn1  18  0.0437  0.3735  0.9960  1
  Zn  Zn2  9  0.0053  0.5026  0.8308  1
  Zn  Zn3  9  0.0104  0.5052  0.4751  1
  Zn  Zn4  9  0.1699  0.3398  0.5088  1
  Zn  Zn5  3  0.0000  0.0000  0.1056  1
  Zn  Zn6  3  0.0000  0.0000  0.8877  1
  Tc  Tc7  3  0.0000  0.0000  0.4510  1
]