data_[Np2Pa2Rh2S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Np  1.3600  1.7500  1.0000
  Pa  1.5000  1.8000  1.0400
  Rh  2.2800  1.3500  0.7450
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4210]
_cell_length_b [5.8405]
_cell_length_c [7.5600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NpPaRhS4]
_chemical_formula_sum '[Np2 Pa2 Rh2 S8]'
_cell_volume [272.3917]
_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  0.2382  0.2500  0.0577  1
  Pa  Pa1  2  0.2442  0.2500  0.5566  1
  Rh  Rh2  2  0.2356  0.7500  0.3200  1
  S  S3  4  0.0332  0.5177  0.7591  1
  S  S4  2  0.4419  0.7500  0.6215  1
  S  S5  2  0.4482  0.7500  0.1135  1
]