data_[Np6Nb2P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Nb  1.6000  1.4500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.6396]
_cell_length_b [7.6560]
_cell_length_c [6.6959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Np3NbP4]
_chemical_formula_sum '[Np6 Nb2 P8]'
_cell_volume [320.7495]
_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  2  0.0000  0.3722  0.2500  1
  Np  Np1  2  0.5000  0.1221  0.2500  1
  Np  Np2  2  0.5000  0.3701  0.7500  1
  Nb  Nb3  2  0.0000  0.1290  0.7500  1
  P  P4  4  0.2345  0.1153  0.4985  1
  P  P5  4  0.2434  0.3676  0.9931  1
]