data_[Np4Tl6Ag2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1486]
_cell_length_b [12.4151]
_cell_length_c [8.1176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np2Tl3AgSe6]
_chemical_formula_sum '[Np4 Tl6 Ag2 Se12]'
_cell_volume [690.0177]
_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  0.0000  0.3326  0.0000  1
  Tl  Tl1  4  0.0000  0.1609  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Ag  Ag3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2441  0.1753  0.2085  1
  Se  Se5  4  0.2209  0.5000  0.1992  1
]