# generated using pymatgen
data_Ba2NdB18
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22129829
_cell_length_b   4.22129829
_cell_length_c   12.68220964
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2NdB18
_chemical_formula_sum   'Ba2 Nd1 B18'
_cell_volume   225.98884976
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.33195599  1.0
  Ba  Ba1  1  0.00000000  0.00000000  0.66804401  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.00000000  1.0
  B  B3  1  0.20262797  0.50000000  0.16235552  1.0
  B  B4  1  0.20444460  0.50000000  0.50000000  1.0
  B  B5  1  0.20262797  0.50000000  0.83764448  1.0
  B  B6  1  0.50000000  0.50000000  0.26225439  1.0
  B  B7  1  0.50000000  0.50000000  0.59907448  1.0
  B  B8  1  0.50000000  0.50000000  0.93473290  1.0
  B  B9  1  0.50000000  0.20262797  0.16235552  1.0
  B  B10  1  0.50000000  0.20444460  0.50000000  1.0
  B  B11  1  0.50000000  0.20262797  0.83764448  1.0
  B  B12  1  0.50000000  0.50000000  0.06526710  1.0
  B  B13  1  0.50000000  0.50000000  0.40092552  1.0
  B  B14  1  0.50000000  0.50000000  0.73774561  1.0
  B  B15  1  0.50000000  0.79737203  0.16235552  1.0
  B  B16  1  0.50000000  0.79555540  0.50000000  1.0
  B  B17  1  0.50000000  0.79737203  0.83764448  1.0
  B  B18  1  0.79737203  0.50000000  0.16235552  1.0
  B  B19  1  0.79555540  0.50000000  0.50000000  1.0
  B  B20  1  0.79737203  0.50000000  0.83764448  1.0