data_[Np4Te8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9763]
_cell_length_b [14.0239]
_cell_length_c [7.5807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Np(TeCl)2]
_chemical_formula_sum '[Np4 Te8 Cl8]'
_cell_volume [664.3609]
_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  0.0000  0.1596  0.5000  1
  Te  Te1  4  0.1208  0.0000  0.8387  1
  Te  Te2  4  0.1277  0.5000  0.3504  1
  Cl  Cl3  8  0.1957  0.2168  0.2687  1
]