data_[Np1Mn1Al1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Mn  1.5500  1.4000  0.6483
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [4.3300]
_cell_length_b [4.3300]
_cell_length_c [4.3524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [NpMnAlH6]
_chemical_formula_sum '[Np1 Mn1 Al1 H6]'
_cell_volume [70.6721]
_cell_formula_units_Z [1]
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  1  0.3333  0.6667  0.5000  1
  Mn  Mn1  1  0.6667  0.3333  0.0000  1
  Al  Al2  1  0.0000  0.0000  0.0000  1
  H  H3  6  0.3609  0.1804  0.2755  1
]