data_[Np4Tl6Hg2Se12]
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
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2655]
_cell_length_b [12.7603]
_cell_length_c [8.0055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2307]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np2Tl3HgSe6]
_chemical_formula_sum '[Np4 Tl6 Hg2 Se12]'
_cell_volume [712.6137]
_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  0.3309  0.0000  1
  Tl  Tl1  4  0.0000  0.1586  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Hg  Hg3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2496  0.1807  0.2152  1
  Se  Se5  4  0.2264  0.5000  0.1911  1
]