data_[Np6P4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4309]
_cell_length_b [3.5214]
_cell_length_c [7.8959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8501]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np3(PH)2]
_chemical_formula_sum '[Np6 P4 H4]'
_cell_volume [201.2537]
_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
[
  Np  Np0  4  0.1830  0.5000  0.5527  1
  Np  Np1  2  0.0000  0.5000  0.0000  1
  P  P2  4  0.0729  0.0000  0.7494  1
  H  H3  4  0.1638  0.0000  0.1320  1
]