data_[La8Np4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [7.0613]
_cell_length_b [12.2303]
_cell_length_c [7.0755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4246]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2NpS3]
_chemical_formula_sum '[La8 Np4 S12]'
_cell_volume [576.2643]
_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
[
  La  La0  4  0.0000  0.1636  0.5000  1
  La  La1  2  0.0000  0.0000  0.0000  1
  La  La2  2  0.0000  0.5000  0.5000  1
  Np  Np3  4  0.0000  0.3328  0.0000  1
  S  S4  8  0.2483  0.3283  0.7613  1
  S  S5  4  0.2343  0.5000  0.2352  1
]