data_[Np3Be6Tl3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.2179]
_cell_length_b [6.2179]
_cell_length_c [29.5623]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [NpBe2TlCl8]
_chemical_formula_sum '[Np3 Be6 Tl3 Cl24]'
_cell_volume [989.8270]
_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
[
  Np  Np0  3  0.0000  0.0000  0.0000  1
  Be  Be1  6  0.0000  0.0000  0.2509  1
  Tl  Tl2  3  -0.0000  0.0000  0.5000  1
  Cl  Cl3  18  0.0065  0.3142  0.2759  1
  Cl  Cl4  6  0.0000  0.0000  0.1851  1
]