# generated using pymatgen
data_Nd4ThP12Ru19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.55866888
_cell_length_b   12.55866950
_cell_length_c   4.01037991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000611
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd4ThP12Ru19
_chemical_formula_sum   'Nd4 Th1 P12 Ru19'
_cell_volume   547.77645674
_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  0.99972175  0.18399682  0.50000000  1.0
  Nd  Nd1  1  0.81600318  0.81572493  0.50000000  1.0
  Nd  Nd2  1  0.18427507  0.00027825  0.50000000  1.0
  Nd  Nd3  1  0.33333300  0.66666700  0.00000000  1.0
  Th  Th4  1  0.66666700  0.33333300  0.00000000  1.0
  P  P5  1  0.00082315  0.81299732  0.00000000  1.0
  P  P6  1  0.18700268  0.18782583  0.00000000  1.0
  P  P7  1  0.81217417  0.99917685  0.00000000  1.0
  P  P8  1  0.69589829  0.16964083  0.50000000  1.0
  P  P9  1  0.83035917  0.52625746  0.50000000  1.0
  P  P10  1  0.47374254  0.30410171  0.50000000  1.0
  P  P11  1  0.17154330  0.69578525  0.50000000  1.0
  P  P12  1  0.52424296  0.82845670  0.50000000  1.0
  P  P13  1  0.30421475  0.47575704  0.50000000  1.0
  P  P14  1  0.00123726  0.37539657  0.00000000  1.0
  P  P15  1  0.62460343  0.62583970  0.00000000  1.0
  P  P16  1  0.37416030  0.99876274  0.00000000  1.0
  Ru  Ru17  1  0.99913018  0.55398678  0.00000000  1.0
  Ru  Ru18  1  0.44601322  0.44514440  0.00000000  1.0
  Ru  Ru19  1  0.55485560  0.00086982  0.00000000  1.0
  Ru  Ru20  1  0.00054715  0.71579273  0.50000000  1.0
  Ru  Ru21  1  0.28420727  0.28475441  0.50000000  1.0
  Ru  Ru22  1  0.71524559  0.99945285  0.50000000  1.0
  Ru  Ru23  1  0.80652804  0.18487455  0.00000000  1.0
  Ru  Ru24  1  0.81512545  0.62165349  0.00000000  1.0
  Ru  Ru25  1  0.37834651  0.19347196  0.00000000  1.0
  Ru  Ru26  1  0.18450122  0.80586886  0.00000000  1.0
  Ru  Ru27  1  0.62136864  0.81549878  0.00000000  1.0
  Ru  Ru28  1  0.19413114  0.37863136  0.00000000  1.0
  Ru  Ru29  1  0.87332638  0.36725891  0.50000000  1.0
  Ru  Ru30  1  0.63274109  0.50606748  0.50000000  1.0
  Ru  Ru31  1  0.49393252  0.12667362  0.50000000  1.0
  Ru  Ru32  1  0.36774126  0.87586599  0.50000000  1.0
  Ru  Ru33  1  0.50812373  0.63225874  0.50000000  1.0
  Ru  Ru34  1  0.12413401  0.49187627  0.50000000  1.0
  Ru  Ru35  1  0.00000000  0.00000000  0.00000000  1.0