# generated using pymatgen
data_BaNiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43910182
_cell_length_b   9.71499235
_cell_length_c   13.69321851
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiN
_chemical_formula_sum   'Ba12 Ni12 N12'
_cell_volume   723.56106666
_cell_formula_units_Z   12
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  0.47843007  0.50630165  0.75000000  1.0
  Ba  Ba1  1  0.97843007  0.99369835  0.25000000  1.0
  Ba  Ba2  1  0.02156993  0.00630165  0.75000000  1.0
  Ba  Ba3  1  0.52156993  0.49369835  0.25000000  1.0
  Ba  Ba4  1  0.97217074  0.32646393  0.41231170  1.0
  Ba  Ba5  1  0.47217074  0.17353607  0.58768830  1.0
  Ba  Ba6  1  0.52782926  0.82646393  0.08768830  1.0
  Ba  Ba7  1  0.02782926  0.67353607  0.91231170  1.0
  Ba  Ba8  1  0.02782926  0.67353607  0.58768830  1.0
  Ba  Ba9  1  0.52782926  0.82646393  0.41231170  1.0
  Ba  Ba10  1  0.47217074  0.17353607  0.91231170  1.0
  Ba  Ba11  1  0.97217074  0.32646393  0.08768830  1.0
  Ni  Ni12  1  0.43610210  0.14274578  0.16245289  1.0
  Ni  Ni13  1  0.93610210  0.35725422  0.83754711  1.0
  Ni  Ni14  1  0.06389790  0.64274578  0.33754711  1.0
  Ni  Ni15  1  0.56389790  0.85725422  0.66245289  1.0
  Ni  Ni16  1  0.56389790  0.85725422  0.83754711  1.0
  Ni  Ni17  1  0.06389790  0.64274578  0.16245289  1.0
  Ni  Ni18  1  0.93610210  0.35725422  0.66245289  1.0
  Ni  Ni19  1  0.43610210  0.14274578  0.33754711  1.0
  Ni  Ni20  1  -0.00000000  0.00000000  -0.00000000  1.0
  Ni  Ni21  1  0.50000000  0.50000000  -0.00000000  1.0
  Ni  Ni22  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni23  1  -0.00000000  0.00000000  0.50000000  1.0
  N  N24  1  0.35229193  0.78344757  0.75000000  1.0
  N  N25  1  0.85229193  0.71655243  0.25000000  1.0
  N  N26  1  0.14770807  0.28344757  0.75000000  1.0
  N  N27  1  0.64770807  0.21655243  0.25000000  1.0
  N  N28  1  0.22374842  0.07101086  0.42339924  1.0
  N  N29  1  0.72374842  0.42898914  0.57660076  1.0
  N  N30  1  0.27625158  0.57101086  0.07660076  1.0
  N  N31  1  0.77625158  0.92898914  0.92339924  1.0
  N  N32  1  0.77625158  0.92898914  0.57660076  1.0
  N  N33  1  0.27625158  0.57101086  0.42339924  1.0
  N  N34  1  0.72374842  0.42898914  0.92339924  1.0
  N  N35  1  0.22374842  0.07101086  0.07660076  1.0