data_[Cs8Np6Ni2S16]
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
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.4321]
_cell_length_b [7.9611]
_cell_length_c [9.3099]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.5380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs4Np3NiS8]
_chemical_formula_sum '[Cs8 Np6 Ni2 S16]'
_cell_volume [921.2959]
_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  0.2500  0.2500  0.0000  1
  Cs  Cs1  2  0.0000  0.0000  0.0000  1
  Cs  Cs2  2  0.0000  0.5000  0.0000  1
  Np  Np3  4  0.2500  0.2500  0.5000  1
  Np  Np4  2  0.0000  0.5000  0.5000  1
  Ni  Ni5  2  0.0000  0.0000  0.5000  1
  S  S6  8  0.0258  0.2327  0.3350  1
  S  S7  4  0.2261  0.5000  0.6839  1
  S  S8  4  0.2445  0.0000  0.6901  1
]