data_[Np2Pa4S12]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7188]
_cell_length_b [6.7467]
_cell_length_c [10.8402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.4004]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Np(PaS3)2]
_chemical_formula_sum '[Np2 Pa4 S12]'
_cell_volume [440.1404]
_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  0.5000  0.0000  0.5000  1
  Pa  Pa1  4  0.1667  0.6049  0.2167  1
  S  S2  4  0.1187  0.6896  0.9382  1
  S  S3  4  0.2107  0.1843  0.9010  1
  S  S4  4  0.4608  0.6035  0.7549  1
]