data_[Np2Tl6Pd4Se12]
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
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5891]
_cell_length_b [11.4023]
_cell_length_c [8.3752]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.0310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpTl3(PdSe3)2]
_chemical_formula_sum '[Np2 Tl6 Pd4 Se12]'
_cell_volume [607.7126]
_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  2  0.0000  0.0000  0.0000  1
  Tl  Tl1  4  0.0000  0.1611  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  Pd  Pd3  4  0.0000  0.3331  0.0000  1
  Se  Se4  8  0.2406  0.1777  0.1916  1
  Se  Se5  4  0.2080  0.5000  0.1890  1
]