data_[Cs6Np4Cu2S12]
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
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7880]
_cell_length_b [12.9372]
_cell_length_c [8.1893]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.7787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs3Np2CuS6]
_chemical_formula_sum '[Cs6 Np4 Cu2 S12]'
_cell_volume [695.3751]
_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  0.1491  0.5000  1
  Cs  Cs1  2  0.0000  0.5000  0.5000  1
  Np  Np2  4  0.0000  0.3345  0.0000  1
  Cu  Cu3  2  0.0000  0.0000  0.0000  1
  S  S4  8  0.2477  0.1920  0.1949  1
  S  S5  4  0.2486  0.5000  0.1437  1
]