# generated using pymatgen
data_NdPuB12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82934159
_cell_length_b   5.82934095
_cell_length_c   5.82934104
_cell_angle_alpha   59.99999944
_cell_angle_beta   60.00000308
_cell_angle_gamma   60.00000168
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdPuB12
_chemical_formula_sum   'Nd1 Pu1 B12'
_cell_volume   140.06945600
_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  0.50000000  0.50000000  0.50000000  1.0
  Pu  Pu1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.40018658  0.09981342  0.09981342  1.0
  B  B3  1  0.90018658  0.59981342  0.59981342  1.0
  B  B4  1  0.40018658  0.40018658  0.09981342  1.0
  B  B5  1  0.90018658  0.90018658  0.59981342  1.0
  B  B6  1  0.09981342  0.40018658  0.09981342  1.0
  B  B7  1  0.59981342  0.90018658  0.59981342  1.0
  B  B8  1  0.09981342  0.09981342  0.40018658  1.0
  B  B9  1  0.59981342  0.59981342  0.90018658  1.0
  B  B10  1  0.40018658  0.09981342  0.40018658  1.0
  B  B11  1  0.90018658  0.59981342  0.90018658  1.0
  B  B12  1  0.09981342  0.40018658  0.40018658  1.0
  B  B13  1  0.59981342  0.90018658  0.90018658  1.0