data_[Np4P4H4]
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 [6.2627]
_cell_length_b [3.6120]
_cell_length_c [7.1076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3046]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpPH]
_chemical_formula_sum '[Np4 P4 H4]'
_cell_volume [160.5130]
_cell_formula_units_Z [4]
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  0.1573  0.5000  0.4071  1
  P  P1  4  0.0074  0.0000  0.8437  1
  H  H2  4  0.2492  0.0000  0.8765  1
]