data_[Np2W2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  W  2.3600  1.3500  0.7667
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.8791]
_cell_length_b [3.6221]
_cell_length_c [18.6078]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpWSe4]
_chemical_formula_sum '[Np2 W2 Se8]'
_cell_volume [868.0370]
_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  0.3563  0.2500  0.0020  1
  W  W1  2  0.0885  0.7500  0.0043  1
  Se  Se2  2  0.0412  0.2500  0.0969  1
  Se  Se3  2  0.1791  0.2500  0.9195  1
  Se  Se4  2  0.2615  0.7500  0.0914  1
  Se  Se5  2  0.4630  0.7500  0.9141  1
]