data_[Na4Np6Tl2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Np  1.3600  1.7500  1.0000
  Tl  1.6200  1.9000  1.3325
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0115]
_cell_length_b [4.2051]
_cell_length_c [8.7550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Np3TlSe6]
_chemical_formula_sum '[Na4 Np6 Tl2 Se12]'
_cell_volume [670.7755]
_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
[
  Na  Na0  4  0.1675  0.0000  0.3328  1
  Np  Np1  4  0.1668  0.0000  0.8289  1
  Np  Np2  2  0.0000  0.5000  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.0000  1
  Se  Se4  4  0.0075  0.0000  0.7265  1
  Se  Se5  4  0.1612  0.5000  0.5930  1
  Se  Se6  4  0.1752  0.5000  0.0661  1
]