data_[Mg3Np6Zn48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Np  1.3600  1.7500  1.0000
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [9.0331]
_cell_length_b [9.0331]
_cell_length_c [13.2794]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Mg(NpZn8)2]
_chemical_formula_sum '[Mg3 Np6 Zn48]'
_cell_volume [938.3952]
_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
[
  Mg  Mg0  3  0.0000  0.0000  0.0949  1
  Np  Np1  3  0.0000  0.0000  0.3410  1
  Np  Np2  3  0.0000  0.0000  0.6605  1
  Zn  Zn3  18  0.0353  0.3684  0.6673  1
  Zn  Zn4  9  0.0029  0.5014  0.5010  1
  Zn  Zn5  9  0.0107  0.5054  0.1520  1
  Zn  Zn6  9  0.1707  0.3414  0.1840  1
  Zn  Zn7  3  0.0000  0.0000  0.8886  1
]