# generated using pymatgen
data_NpPaS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93343537
_cell_length_b   10.61911942
_cell_length_c   10.73449469
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NpPaS3
_chemical_formula_sum   'Np4 Pa4 S12'
_cell_volume   448.37576400
_cell_formula_units_Z   4
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  1  0.25000000  0.50982895  0.30796094  1.0
  Np  Np1  1  0.75000000  0.49017105  0.69203906  1.0
  Np  Np2  1  0.75000000  0.00982895  0.19203906  1.0
  Np  Np3  1  0.25000000  0.99017105  0.80796094  1.0
  Pa  Pa4  1  0.25000000  0.31353509  0.98801477  1.0
  Pa  Pa5  1  0.75000000  0.68646491  0.01198523  1.0
  Pa  Pa6  1  0.75000000  0.81353509  0.51198523  1.0
  Pa  Pa7  1  0.25000000  0.18646491  0.48801477  1.0
  S  S8  1  0.25000000  0.87076181  0.05101214  1.0
  S  S9  1  0.75000000  0.12923819  0.94898786  1.0
  S  S10  1  0.75000000  0.37076181  0.44898786  1.0
  S  S11  1  0.25000000  0.62923819  0.55101214  1.0
  S  S12  1  0.25000000  0.55402024  0.88030464  1.0
  S  S13  1  0.75000000  0.44597976  0.11969536  1.0
  S  S14  1  0.75000000  0.05402024  0.61969536  1.0
  S  S15  1  0.25000000  0.94597976  0.38030464  1.0
  S  S16  1  0.25000000  0.20539771  0.22499223  1.0
  S  S17  1  0.75000000  0.79460229  0.77500777  1.0
  S  S18  1  0.75000000  0.70539771  0.27500777  1.0
  S  S19  1  0.25000000  0.29460229  0.72499223  1.0