data_[Np2Tl2Au2Se6]
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
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0331]
_cell_length_b [4.1512]
_cell_length_c [9.6279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpTlAuSe3]
_chemical_formula_sum '[Np2 Tl2 Au2 Se6]'
_cell_volume [341.7242]
_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  0.3222  0.2500  0.8357  1
  Tl  Tl1  2  0.1916  0.7500  0.2139  1
  Au  Au2  2  0.1103  0.7500  0.5486  1
  Se  Se3  2  0.1164  0.7500  0.8526  1
  Se  Se4  2  0.2695  0.2500  0.5305  1
  Se  Se5  2  0.4549  0.2500  0.1476  1
]