# generated using pymatgen
data_NdThNb3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18876377
_cell_length_b   7.18194680
_cell_length_c   13.33494197
_cell_angle_alpha   89.99172709
_cell_angle_beta   89.99510149
_cell_angle_gamma   89.99453211
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdThNb3Si4
_chemical_formula_sum   'Nd4 Th4 Nb12 Si16'
_cell_volume   688.47395906
_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  0.83864273  0.50198801  0.96757007  1.0
  Nd  Nd1  1  0.49786842  0.16107527  0.53250614  1.0
  Nd  Nd2  1  0.33884565  0.99800100  0.78260167  1.0
  Nd  Nd3  1  0.66143690  0.00178912  0.28252415  1.0
  Th  Th4  1  0.99800436  0.33813767  0.21784317  1.0
  Th  Th5  1  0.00236788  0.66137715  0.71754253  1.0
  Th  Th6  1  0.16190464  0.49811391  0.46775196  1.0
  Th  Th7  1  0.50202901  0.83845393  0.03240782  1.0
  Nb  Nb8  1  0.17101992  0.16785797  0.00104784  1.0
  Nb  Nb9  1  0.83261571  0.82837254  0.50050599  1.0
  Nb  Nb10  1  0.32925434  0.66767799  0.24949689  1.0
  Nb  Nb11  1  0.67105972  0.33205981  0.74950956  1.0
  Nb  Nb12  1  0.15579082  0.99348171  0.37504608  1.0
  Nb  Nb13  1  0.84271996  0.00729662  0.87471252  1.0
  Nb  Nb14  1  0.50665749  0.65540407  0.62486075  1.0
  Nb  Nb15  1  0.34331025  0.49271429  0.87470455  1.0
  Nb  Nb16  1  0.49157032  0.34352801  0.12477511  1.0
  Nb  Nb17  1  0.65774102  0.50919508  0.37478895  1.0
  Nb  Nb18  1  0.99072254  0.15738916  0.62498031  1.0
  Nb  Nb19  1  0.00834130  0.84410999  0.12466609  1.0
  Si  Si20  1  0.29128553  0.04160401  0.18792177  1.0
  Si  Si21  1  0.70830230  0.95744314  0.68669678  1.0
  Si  Si22  1  0.45821232  0.79123278  0.43673288  1.0
  Si  Si23  1  0.20907141  0.54275231  0.06225585  1.0
  Si  Si24  1  0.54323529  0.21217965  0.93571680  1.0
  Si  Si25  1  0.78713058  0.45572151  0.56301430  1.0
  Si  Si26  1  0.04427624  0.28727399  0.81433501  1.0
  Si  Si27  1  0.95662416  0.71319870  0.31305163  1.0
  Si  Si28  1  0.37510641  0.29677931  0.31436772  1.0
  Si  Si29  1  0.62646964  0.70242424  0.81421646  1.0
  Si  Si30  1  0.20334610  0.87505680  0.56432472  1.0
  Si  Si31  1  0.12656059  0.79791717  0.93541257  1.0
  Si  Si32  1  0.79688745  0.12824702  0.06360073  1.0
  Si  Si33  1  0.87051389  0.20168366  0.43614291  1.0
  Si  Si34  1  0.29825724  0.37023011  0.68618040  1.0
  Si  Si35  1  0.70281688  0.62823329  0.18618834  1.0