data_[Np12Pt4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.2109]
_cell_length_b [13.7160]
_cell_length_c [6.5758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Np3PtSe6]
_chemical_formula_sum '[Np12 Pt4 Se24]'
_cell_volume [1011.1539]
_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  8  0.1693  0.1038  0.5409  1
  Np  Np1  4  0.0000  0.3898  0.6216  1
  Pt  Pt2  4  0.0000  0.1989  0.9181  1
  Se  Se3  8  0.1643  0.4706  0.3345  1
  Se  Se4  8  0.1879  0.2723  0.7890  1
  Se  Se5  4  0.0000  0.0227  0.8247  1
  Se  Se6  4  0.0000  0.2240  0.3215  1
]