data_[Sm8Np4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Np  1.3600  1.7500  1.0000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8907]
_cell_length_b [11.9373]
_cell_length_c [6.8786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2NpS3]
_chemical_formula_sum '[Sm8 Np4 S12]'
_cell_volume [533.4718]
_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
[
  Sm  Sm0  4  0.0000  0.1643  0.5000  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Np  Np3  4  0.0000  0.3332  0.0000  1
  S  S4  8  0.2489  0.3307  0.7552  1
  S  S5  4  0.2421  0.5000  0.2431  1
]