data_[Cs6Np4Pa2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1271]
_cell_length_b [12.3443]
_cell_length_c [8.4503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3293]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Np2PaS6]
_chemical_formula_sum '[Cs6 Np4 Pa2 S12]'
_cell_volume [713.4648]
_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
[
  Cs  Cs0  4  0.0000  0.1678  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Np  Np2  4  0.0000  0.3334  0.0000  1
  Pa  Pa3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2245  0.1638  0.1819  1
  S  S5  4  0.2332  0.5000  0.1824  1
]