data_[Np2Pd4S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pd  2.2000  1.4000  0.8462
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.3080]
_cell_length_b [3.9676]
_cell_length_c [10.2497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.3315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpPd2S3]
_chemical_formula_sum '[Np2 Pd4 S6]'
_cell_volume [256.4564]
_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
[
  Np  Np0  2  0.3304  0.7500  0.3339  1
  Pd  Pd1  2  0.0852  0.7500  0.5879  1
  Pd  Pd2  2  0.4538  0.2500  0.0880  1
  S  S3  2  0.1253  0.2500  0.2132  1
  S  S4  2  0.2939  0.2500  0.5305  1
  S  S5  2  0.3805  0.2500  0.8470  1
]