# generated using pymatgen
data_NdTh7(AlRu)8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08757831
_cell_length_b   7.34375081
_cell_length_c   16.15652248
_cell_angle_alpha   89.32009106
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTh7(AlRu)8
_chemical_formula_sum   'Nd1 Th7 Al8 Ru8'
_cell_volume   484.95487365
_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  0.54031964  0.71805028  1.0
  Th  Th1  1  0.75000000  0.95757681  0.21878760  1.0
  Th  Th2  1  0.25000000  0.16503866  0.56179785  1.0
  Th  Th3  1  0.75000000  0.82691302  0.43923584  1.0
  Th  Th4  1  0.75000000  0.45617519  0.28098777  1.0
  Th  Th5  1  0.75000000  0.33464204  0.06087408  1.0
  Th  Th6  1  0.25000000  0.67412103  0.93743124  1.0
  Th  Th7  1  0.25000000  0.04217896  0.78123130  1.0
  Al  Al8  1  0.75000000  0.49729335  0.56341286  1.0
  Al  Al9  1  0.75000000  0.36938002  0.84861147  1.0
  Al  Al10  1  0.75000000  0.01096310  0.93918139  1.0
  Al  Al11  1  0.75000000  0.85789245  0.64871756  1.0
  Al  Al12  1  0.25000000  0.49333143  0.43845028  1.0
  Al  Al13  1  0.25000000  0.99990542  0.06078976  1.0
  Al  Al14  1  0.25000000  0.63850400  0.14911619  1.0
  Al  Al15  1  0.25000000  0.13469368  0.35135606  1.0
  Ru  Ru16  1  0.75000000  0.76100260  0.82243316  1.0
  Ru  Ru17  1  0.25000000  0.24519723  0.93607307  1.0
  Ru  Ru18  1  0.75000000  0.26202688  0.43509180  1.0
  Ru  Ru19  1  0.25000000  0.75598593  0.31629772  1.0
  Ru  Ru20  1  0.75000000  0.76801101  0.06585877  1.0
  Ru  Ru21  1  0.75000000  0.22081931  0.68255121  1.0
  Ru  Ru22  1  0.25000000  0.25464560  0.18231188  1.0
  Ru  Ru23  1  0.25000000  0.73338165  0.56134886  1.0