# generated using pymatgen
data_NiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.03346769
_cell_length_b   3.03346769
_cell_length_c   5.07046311
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiN
_chemical_formula_sum   'Ni2 N2'
_cell_volume   40.40703708
_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
  Ni  Ni0  1  0.66666700  0.33333300  0.87304600  1
  Ni  Ni1  1  0.33333300  0.66666700  0.37304600  1
  N  N2  1  0.66666700  0.33333300  0.50195600  1
  N  N3  1  0.33333300  0.66666700  0.00195600  1
