data_[Na3Np9Tl12Se24]
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 [R-3m]
_cell_length_a [8.4491]
_cell_length_b [8.4491]
_cell_length_c [23.0626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [NaNp3(TlSe2)4]
_chemical_formula_sum '[Na3 Np9 Tl12 Se24]'
_cell_volume [1425.7973]
_cell_formula_units_Z [3]
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  3  -0.0000  -0.0000  0.0000  1
  Np  Np1  9  0.0000  0.5000  0.0000  1
  Tl  Tl2  9  0.0000  0.5000  0.5000  1
  Tl  Tl3  3  -0.0000  -0.0000  0.5000  1
  Se  Se4  18  0.0174  0.5087  0.2659  1
  Se  Se5  6  0.0000  0.0000  0.2655  1
]