data_[Cs4Np4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5493]
_cell_length_b [5.5913]
_cell_length_c [10.0134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3995]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsNpSe3]
_chemical_formula_sum '[Cs4 Np4 Se12]'
_cell_volume [723.8923]
_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
[
  Cs  Cs0  4  0.1095  0.5000  0.3959  1
  Np  Np1  4  0.1283  0.0000  0.9237  1
  Se  Se2  4  0.0851  0.0000  0.1726  1
  Se  Se3  4  0.1287  0.0000  0.6632  1
  Se  Se4  4  0.1562  0.5000  0.9429  1
]