# generated using pymatgen
data_Ba2PuN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.51690452
_cell_length_b   7.51690560
_cell_length_c   12.06875533
_cell_angle_alpha   89.99526989
_cell_angle_beta   89.99527101
_cell_angle_gamma   131.58867898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2PuN3
_chemical_formula_sum   'Ba8 Pu4 N12'
_cell_volume   510.03634902
_cell_formula_units_Z   4
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  0.09999993  0.40018559  0.13181648  1.0
  Ba  Ba1  1  0.40018559  0.09999993  0.63181648  1.0
  Ba  Ba2  1  0.90000007  0.59981441  0.86818352  1.0
  Ba  Ba3  1  0.59981441  0.90000007  0.36818352  1.0
  Ba  Ba4  1  0.09945164  0.40078835  0.63167437  1.0
  Ba  Ba5  1  0.59921165  0.90054836  0.86832563  1.0
  Ba  Ba6  1  0.90054836  0.59921165  0.36832563  1.0
  Ba  Ba7  1  0.40078835  0.09945164  0.13167437  1.0
  Pu  Pu8  1  0.25028454  0.24959507  0.37381826  1.0
  Pu  Pu9  1  0.74971546  0.75040493  0.62618174  1.0
  Pu  Pu10  1  0.75040493  0.74971546  0.12618174  1.0
  Pu  Pu11  1  0.24959507  0.25028454  0.87381826  1.0
  N  N12  1  0.10659852  0.39343171  0.88503631  1.0
  N  N13  1  0.60656829  0.89340148  0.61496369  1.0
  N  N14  1  0.89340148  0.60656829  0.11496369  1.0
  N  N15  1  0.39343171  0.10659852  0.38503631  1.0
  N  N16  1  0.99952093  0.00047907  0.75000000  1.0
  N  N17  1  0.00047907  0.99952093  0.25000000  1.0
  N  N18  1  0.49952511  0.50047489  0.75000000  1.0
  N  N19  1  0.60724982  0.89279107  0.11522097  1.0
  N  N20  1  0.89279107  0.60724982  0.61522097  1.0
  N  N21  1  0.39275018  0.10720893  0.88477903  1.0
  N  N22  1  0.10720893  0.39275018  0.38477903  1.0
  N  N23  1  0.50047489  0.49952511  0.25000000  1.0