data_[Np8P2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.0525]
_cell_length_b [8.1708]
_cell_length_c [7.0392]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Np4PSe3]
_chemical_formula_sum '[Np8 P2 Se6]'
_cell_volume [382.1044]
_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  0.2379  0.1185  0.0003  1
  Np  Np1  4  0.2446  0.3681  0.4934  1
  P  P2  2  0.0000  0.1256  0.2500  1
  Se  Se3  2  0.0000  0.3754  0.7500  1
  Se  Se4  2  0.5000  0.1250  0.7500  1
  Se  Se5  2  0.5000  0.3755  0.2500  1
]