data_[Ba2Np2Pd2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [6.6376]
_cell_length_b [5.9101]
_cell_length_c [8.6813]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaNpPdS4]
_chemical_formula_sum '[Ba2 Np2 Pd2 S8]'
_cell_volume [323.5896]
_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
[
  Ba  Ba0  2  0.2533  0.2500  0.0579  1
  Np  Np1  2  0.2534  0.2500  0.5584  1
  Pd  Pd2  2  0.2220  0.7500  0.3240  1
  S  S3  4  0.0387  0.5269  0.7118  1
  S  S4  2  0.4472  0.7500  0.1520  1
  S  S5  2  0.4541  0.7500  0.5923  1
]