# generated using pymatgen
data_Nd2PaS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50798430
_cell_length_b   8.13529217
_cell_length_c   12.03098850
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd2PaS5
_chemical_formula_sum   'Nd8 Pa4 S20'
_cell_volume   734.84851677
_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
  Nd  Nd0  1  0.52329250  0.49985942  0.32257764  1.0
  Nd  Nd1  1  0.97670750  0.00014058  0.82257764  1.0
  Nd  Nd2  1  0.47670750  0.99985942  0.67742236  1.0
  Nd  Nd3  1  0.02329250  0.50014058  0.17742236  1.0
  Nd  Nd4  1  0.47670750  0.50014058  0.67742236  1.0
  Nd  Nd5  1  0.02329250  0.99985942  0.17742236  1.0
  Nd  Nd6  1  0.52329250  0.00014058  0.32257764  1.0
  Nd  Nd7  1  0.97670750  0.49985942  0.82257764  1.0
  Pa  Pa8  1  0.07147140  0.75000000  0.49315950  1.0
  Pa  Pa9  1  0.42852860  0.75000000  0.99315950  1.0
  Pa  Pa10  1  0.92852860  0.25000000  0.50684050  1.0
  Pa  Pa11  1  0.57147140  0.25000000  0.00684050  1.0
  S  S12  1  0.83849992  0.95986995  0.59696697  1.0
  S  S13  1  0.66150008  0.54013005  0.09696697  1.0
  S  S14  1  0.16150008  0.45986995  0.40303303  1.0
  S  S15  1  0.33849992  0.04013005  0.90303303  1.0
  S  S16  1  0.16150008  0.04013005  0.40303303  1.0
  S  S17  1  0.33849992  0.45986995  0.90303303  1.0
  S  S18  1  0.83849992  0.54013005  0.59696697  1.0
  S  S19  1  0.66150008  0.95986995  0.09696697  1.0
  S  S20  1  0.83108225  0.75000000  0.31394093  1.0
  S  S21  1  0.66891775  0.75000000  0.81394093  1.0
  S  S22  1  0.16891775  0.25000000  0.68605907  1.0
  S  S23  1  0.33108225  0.25000000  0.18605907  1.0
  S  S24  1  0.45410416  0.75000000  0.49866899  1.0
  S  S25  1  0.04589584  0.75000000  0.99866899  1.0
  S  S26  1  0.54589584  0.25000000  0.50133101  1.0
  S  S27  1  0.95410416  0.25000000  0.00133101  1.0
  S  S28  1  0.19470890  0.75000000  0.71379806  1.0
  S  S29  1  0.30529110  0.75000000  0.21379806  1.0
  S  S30  1  0.80529110  0.25000000  0.28620194  1.0
  S  S31  1  0.69470890  0.25000000  0.78620194  1.0