data_[Np4Tl4I4Cl16]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.5602]
_cell_length_b [11.4484]
_cell_length_c [9.1503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.9781]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NpTlICl4]
_chemical_formula_sum '[Np4 Tl4 I4 Cl16]'
_cell_volume [1282.1530]
_cell_formula_units_Z [4]
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  0.1370  0.5000  0.1808  1
  Tl  Tl1  4  0.1632  0.0000  0.2182  1
  I  I2  4  0.1239  0.0000  0.8274  1
  Cl  Cl3  8  0.1364  0.2777  0.1762  1
  Cl  Cl4  4  0.0852  0.5000  0.8733  1
  Cl  Cl5  4  0.1623  0.5000  0.4645  1
]