# generated using pymatgen
data_Na3NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.44283157
_cell_length_b   7.99326007
_cell_length_c   12.54357257
_cell_angle_alpha   90.00000073
_cell_angle_beta   137.97505536
_cell_angle_gamma   118.25363403
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na3NiN2
_chemical_formula_sum   'Na12 Ni4 N8'
_cell_volume   400.71821953
_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
  Na  Na0  1  0.00000000  0.50000000  0.36596100  1.0
  Na  Na1  1  0.00000000  0.00000000  0.88403900  1.0
  Na  Na2  1  0.00000000  0.50000000  0.13403900  1.0
  Na  Na3  1  0.00000000  0.00000000  0.11596100  1.0
  Na  Na4  1  0.58176200  0.50000000  0.54088100  1.0
  Na  Na5  1  0.41823800  0.50000000  0.95911900  1.0
  Na  Na6  1  0.58176200  0.00000000  0.29088100  1.0
  Na  Na7  1  0.41823800  0.00000000  0.70911900  1.0
  Na  Na8  1  0.41823800  0.91823800  0.95911900  1.0
  Na  Na9  1  0.58176200  0.08176200  0.54088100  1.0
  Na  Na10  1  0.41823800  0.41823800  0.70911900  1.0
  Na  Na11  1  0.58176200  0.58176200  0.29088100  1.0
  Ni  Ni12  1  0.00000000  0.50000000  0.59056600  1.0
  Ni  Ni13  1  0.00000000  0.00000000  0.65943400  1.0
  Ni  Ni14  1  0.00000000  0.50000000  0.90943400  1.0
  Ni  Ni15  1  0.00000000  0.00000000  0.34056600  1.0
  N  N16  1  0.42277900  0.71138900  0.79725400  1.0
  N  N17  1  0.57722100  0.28861100  0.37447600  1.0
  N  N18  1  0.42277900  0.21138900  0.87552400  1.0
  N  N19  1  0.57722100  0.78861100  0.45274600  1.0
  N  N20  1  0.00000000  0.28861100  0.91413600  1.0
  N  N21  1  0.00000000  0.71138900  0.91413600  1.0
  N  N22  1  0.00000000  0.78861100  0.33586400  1.0
  N  N23  1  0.00000000  0.21138900  0.33586400  1.0