data_[Np4Tl6V2Se12]
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
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0119]
_cell_length_b [12.1165]
_cell_length_c [8.1714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6186]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np2Tl3VSe6]
_chemical_formula_sum '[Np4 Tl6 V2 Se12]'
_cell_volume [665.2426]
_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  4  0.0000  0.3343  0.0000  1
  Tl  Tl1  4  0.0000  0.1733  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.5000  1
  V  V3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2216  0.1565  0.1958  1
  Se  Se5  4  0.2459  0.0000  0.7980  1
]