data_[Li2Np4Tl6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [7.1855]
_cell_length_b [12.4554]
_cell_length_c [8.0630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiNp2(TlSe2)3]
_chemical_formula_sum '[Li2 Np4 Tl6 Se12]'
_cell_volume [689.8998]
_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
[
  Li  Li0  2  0.0000  0.0000  0.0000  1
  Np  Np1  4  0.0000  0.3329  0.0000  1
  Tl  Tl2  4  0.0000  0.1621  0.5000  1
  Tl  Tl3  2  0.0000  0.5000  0.5000  1
  Se  Se4  8  0.2406  0.1731  0.2038  1
  Se  Se5  4  0.2227  0.5000  0.1964  1
]