data_[Np2H2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6411]
_cell_length_b [3.8286]
_cell_length_c [7.3563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpHSe2]
_chemical_formula_sum '[Np2 H2 Se4]'
_cell_volume [149.5671]
_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  0.3619  0.7500  0.2168  1
  H  H1  2  0.4633  0.7500  0.7477  1
  Se  Se2  2  0.2015  0.2500  0.9082  1
  Se  Se3  2  0.2209  0.2500  0.4411  1
]