# generated using pymatgen
data_Nd(BRu)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.28970100
_cell_length_b   8.28970100
_cell_length_c   12.70419900
_cell_angle_alpha   109.04182439
_cell_angle_beta   109.04182439
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd(BRu)2
_chemical_formula_sum   'Nd8 B16 Ru16'
_cell_volume   774.53854224
_cell_formula_units_Z   8
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  0.12500000  0.37500000  0.25000000  1.0
  Nd  Nd1  1  0.12500000  0.87500000  0.25000000  1.0
  Nd  Nd2  1  0.12500000  0.87500000  0.75000000  1.0
  Nd  Nd3  1  0.62500000  0.37500000  0.25000000  1.0
  Nd  Nd4  1  0.62500000  0.87500000  0.75000000  1.0
  Nd  Nd5  1  0.62500000  0.87500000  0.25000000  1.0
  Nd  Nd6  1  0.62500000  0.37500000  0.75000000  1.0
  Nd  Nd7  1  0.12500000  0.37500000  0.75000000  1.0
  B  B8  1  0.35491000  0.36355600  0.57863100  1.0
  B  B9  1  0.22372200  0.21507500  0.57863100  1.0
  B  B10  1  0.46507500  0.10491000  0.07863100  1.0
  B  B11  1  0.39509000  0.03492500  0.92136900  1.0
  B  B12  1  0.89509000  0.38644400  0.92136900  1.0
  B  B13  1  0.61355600  0.97372200  0.07863100  1.0
  B  B14  1  0.52627800  0.88644400  0.92136900  1.0
  B  B15  1  0.02627800  0.53492500  0.92136900  1.0
  B  B16  1  0.28492500  0.27627800  0.42136900  1.0
  B  B17  1  0.78492500  0.64509000  0.42136900  1.0
  B  B18  1  0.13644400  0.14509000  0.42136900  1.0
  B  B19  1  0.63644400  0.77627800  0.42136900  1.0
  B  B20  1  0.85491000  0.71507500  0.57863100  1.0
  B  B21  1  0.72372200  0.86355600  0.57863100  1.0
  B  B22  1  0.11355600  0.60491000  0.07863100  1.0
  B  B23  1  0.96507500  0.47372200  0.07863100  1.0
  Ru  Ru24  1  0.54130600  0.27016100  0.49017500  1.0
  Ru  Ru25  1  0.94887000  0.22001400  0.49017500  1.0
  Ru  Ru26  1  0.47001400  0.29130600  0.99017500  1.0
  Ru  Ru27  1  0.20869400  0.02998600  0.00982500  1.0
  Ru  Ru28  1  0.70869400  0.47983900  0.00982500  1.0
  Ru  Ru29  1  0.52016100  0.69887000  0.99017500  1.0
  Ru  Ru30  1  0.80113000  0.97983900  0.00982500  1.0
  Ru  Ru31  1  0.30113100  0.52998600  0.00982500  1.0
  Ru  Ru32  1  0.27998600  0.55113000  0.50982500  1.0
  Ru  Ru33  1  0.77998600  0.45869400  0.50982500  1.0
  Ru  Ru34  1  0.22983900  0.95869400  0.50982500  1.0
  Ru  Ru35  1  0.72983900  0.05113100  0.50982500  1.0
  Ru  Ru36  1  0.04130600  0.72001400  0.49017500  1.0
  Ru  Ru37  1  0.44886900  0.77016100  0.49017500  1.0
  Ru  Ru38  1  0.02016100  0.79130600  0.99017500  1.0
  Ru  Ru39  1  0.97001400  0.19887000  0.99017500  1.0