data_[Np2Pa2C2S4]
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
  C  2.5500  0.7000  0.3000
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.8771]
_cell_length_b [3.8771]
_cell_length_c [13.7123]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [NpPaCS2]
_chemical_formula_sum '[Np2 Pa2 C2 S4]'
_cell_volume [206.1230]
_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  0.0000  0.5000  0.8883  1
  Pa  Pa1  2  0.0000  0.5000  0.4098  1
  C  C2  2  0.0000  0.0000  0.5000  1
  S  S3  2  0.0000  0.5000  0.0935  1
  S  S4  2  0.0000  0.5000  0.6952  1
]