# generated using pymatgen
data_Nd3ThS6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01670635
_cell_length_b   10.75992598
_cell_length_c   10.96783986
_cell_angle_alpha   89.49526642
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3ThS6
_chemical_formula_sum   'Nd6 Th2 S12'
_cell_volume   474.00575582
_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
  Nd  Nd0  1  0.25000000  0.00641195  0.31070700  1.0
  Nd  Nd1  1  0.75000000  0.99358902  0.68929308  1.0
  Nd  Nd2  1  0.75000000  0.50355489  0.19229238  1.0
  Nd  Nd3  1  0.25000000  0.49644433  0.80770859  1.0
  Nd  Nd4  1  0.25000000  0.68604650  0.48840480  1.0
  Nd  Nd5  1  0.75000000  0.31395445  0.51159483  1.0
  Th  Th6  1  0.75000000  0.18836791  0.01172958  1.0
  Th  Th7  1  0.25000000  0.81163076  0.98826942  1.0
  S  S8  1  0.25000000  0.05421199  0.88055968  1.0
  S  S9  1  0.75000000  0.94578711  0.11944067  1.0
  S  S10  1  0.75000000  0.55304487  0.62137121  1.0
  S  S11  1  0.25000000  0.44695400  0.37862576  1.0
  S  S12  1  0.25000000  0.12800232  0.54720597  1.0
  S  S13  1  0.75000000  0.87199850  0.45279361  1.0
  S  S14  1  0.75000000  0.62771973  0.95218305  1.0
  S  S15  1  0.25000000  0.37227866  0.04781962  1.0
  S  S16  1  0.25000000  0.70254250  0.22318725  1.0
  S  S17  1  0.75000000  0.29745766  0.77681228  1.0
  S  S18  1  0.75000000  0.20197264  0.26919474  1.0
  S  S19  1  0.25000000  0.79802921  0.73080648  1.0