# generated using pymatgen
data_Nd5(ThS4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01675686
_cell_length_b   10.74104779
_cell_length_c   10.94923602
_cell_angle_alpha   89.68237586
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5(ThS4)3
_chemical_formula_sum   'Nd5 Th3 S12'
_cell_volume   472.38852286
_cell_formula_units_Z   1
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  0.25000000  0.00564842  0.30877412  1.0
  Nd  Nd1  1  0.75000000  0.99083567  0.69131138  1.0
  Nd  Nd2  1  0.75000000  0.50556752  0.18986106  1.0
  Nd  Nd3  1  0.25000000  0.49675373  0.80683253  1.0
  Nd  Nd4  1  0.25000000  0.68813002  0.48705884  1.0
  Th  Th5  1  0.75000000  0.31372493  0.51332976  1.0
  Th  Th6  1  0.75000000  0.18661284  0.01314415  1.0
  Th  Th7  1  0.25000000  0.81324181  0.98725976  1.0
  S  S8  1  0.25000000  0.05615338  0.87982040  1.0
  S  S9  1  0.75000000  0.94452767  0.12082729  1.0
  S  S10  1  0.75000000  0.55256117  0.61968035  1.0
  S  S11  1  0.25000000  0.44483273  0.37884745  1.0
  S  S12  1  0.25000000  0.12923991  0.54916311  1.0
  S  S13  1  0.75000000  0.87383105  0.45279584  1.0
  S  S14  1  0.75000000  0.62825858  0.95163641  1.0
  S  S15  1  0.25000000  0.37192806  0.04757090  1.0
  S  S16  1  0.25000000  0.70221335  0.22323907  1.0
  S  S17  1  0.75000000  0.29679537  0.77442005  1.0
  S  S18  1  0.75000000  0.20294007  0.27468477  1.0
  S  S19  1  0.25000000  0.79620173  0.72974176  1.0