data_[Mg3Np3Sb6]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.4249]
_cell_length_b [4.4249]
_cell_length_c [20.3518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MgNpSb2]
_chemical_formula_sum '[Mg3 Np3 Sb6]'
_cell_volume [345.0898]
_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  0.5034  1
  Np  Np1  3  0.0000  0.0000  0.3319  1
  Sb  Sb2  3  0.0000  0.0000  0.7508  1
  Sb  Sb3  3  0.0000  0.0000  0.9139  1
]