# generated using pymatgen
data_Ba2Ni3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30228946
_cell_length_b   6.30228946
_cell_length_c   7.43252555
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.94874341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Ni3N2
_chemical_formula_sum   'Ba4 Ni6 N4'
_cell_volume   273.81405290
_cell_formula_units_Z   2
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  0.66936308  0.33370843  0.40914443  1.0
  Ba  Ba1  1  0.33370843  0.66936308  0.59085557  1.0
  Ba  Ba2  1  0.83370843  0.16936308  0.90914443  1.0
  Ba  Ba3  1  0.16936308  0.83370843  0.09085557  1.0
  Ni  Ni4  1  0.17190241  0.32487725  0.25779608  1.0
  Ni  Ni5  1  0.32487725  0.17190241  0.74220392  1.0
  Ni  Ni6  1  0.82487725  0.67190241  0.75779608  1.0
  Ni  Ni7  1  0.67190241  0.82487725  0.24220392  1.0
  Ni  Ni8  1  0.02809560  0.02809560  0.50000000  1.0
  Ni  Ni9  1  0.52809560  0.52809560  0.00000000  1.0
  N  N10  1  0.92232338  0.07022986  0.27737801  1.0
  N  N11  1  0.07022986  0.92232338  0.72262199  1.0
  N  N12  1  0.57022986  0.42232338  0.77737801  1.0
  N  N13  1  0.42232338  0.57022986  0.22262199  1.0