data_[Mg4Np2B12]
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
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1045]
_cell_length_b [7.4001]
_cell_length_c [8.4569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg2NpB6]
_chemical_formula_sum '[Mg4 Np2 B12]'
_cell_volume [194.2844]
_cell_formula_units_Z [2]
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  4  0.0000  0.5000  0.3452  1
  Np  Np1  2  0.0000  0.0000  0.5000  1
  B  B2  8  0.0000  0.2425  0.1950  1
  B  B3  4  0.0000  0.2040  0.0000  1
]