# generated using pymatgen
data_Li3NiN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.23322671
_cell_length_b   9.50691109
_cell_length_c   9.50691036
_cell_angle_alpha   90.00000040
_cell_angle_beta   125.26439133
_cell_angle_gamma   54.73561177
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3NiN2
_chemical_formula_sum   'Li24 Ni8 N16'
_cell_volume   429.62374787
_cell_formula_units_Z   8
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
  Li  Li0  1  0.22661216  0.02911562  0.98426563  1
  Li  Li1  1  0.77338784  0.75572779  0.51573437  1
  Li  Li2  1  0.77338784  0.47088438  0.75765347  1
  Li  Li3  1  0.22661216  0.74427221  0.74234653  1
  Li  Li4  1  0.25808090  0.75765347  0.27146215  1
  Li  Li5  1  0.74191910  0.74234653  0.01338126  1
  Li  Li6  1  0.25808090  0.98426563  0.48661874  1
  Li  Li7  1  0.74191910  0.51573437  0.22853785  1
  Li  Li8  1  0.71515759  0.01338126  0.74427221  1
  Li  Li9  1  0.71515759  0.27146215  0.47088438  1
  Li  Li10  1  0.28484241  0.22853785  0.75572779  1
  Li  Li11  1  0.28484241  0.48661874  0.02911562  1
  Li  Li12  1  0.77338784  0.97088438  0.01573437  1
  Li  Li13  1  0.22661216  0.24427221  0.48426563  1
  Li  Li14  1  0.22661216  0.52911562  0.24234653  1
  Li  Li15  1  0.77338784  0.25572779  0.25765347  1
  Li  Li16  1  0.74191910  0.24234653  0.72853785  1
  Li  Li17  1  0.25808090  0.25765347  0.98661874  1
  Li  Li18  1  0.74191910  0.01573437  0.51338126  1
  Li  Li19  1  0.25808090  0.48426563  0.77146215  1
  Li  Li20  1  0.28484241  0.98661874  0.25572779  1
  Li  Li21  1  0.28484241  0.72853785  0.52911562  1
  Li  Li22  1  0.71515759  0.77146215  0.24427221  1
  Li  Li23  1  0.71515759  0.51338126  0.97088438  1
  Ni  Ni24  1  0.23352249  1.00000000  0.73352249  1
  Ni  Ni25  1  0.76647751  0.73352249  0.76647751  1
  Ni  Ni26  1  0.76647751  0.50000000  0.50000000  1
  Ni  Ni27  1  0.23352249  0.76647751  1.00000000  1
  Ni  Ni28  1  0.76647751  0.00000000  0.26647751  1
  Ni  Ni29  1  0.23352249  0.26647751  0.23352249  1
  Ni  Ni30  1  0.23352249  0.50000000  0.50000000  1
  Ni  Ni31  1  0.76647751  0.23352249  0.00000000  1
  N  N32  1  0.00000000  0.00000000  0.50000000  1
  N  N33  1  0.00000000  0.50000000  -0.00000000  1
  N  N34  1  0.00000000  0.50000000  0.50000000  1
  N  N35  1  0.00000000  -0.00000000  -0.00000000  1
  N  N36  1  0.50000000  0.97111194  0.75000000  1
  N  N37  1  0.50000000  0.52888806  0.25000000  1
  N  N38  1  1.00000000  0.25000000  0.72111194  1
  N  N39  1  0.00000000  0.75000000  0.77888806  1
  N  N40  1  0.55777613  0.72111194  0.52888806  1
  N  N41  1  0.44222387  0.77888806  0.97111194  1
  N  N42  1  0.50000000  0.02888806  0.25000000  1
  N  N43  1  0.50000000  0.47111194  0.75000000  1
  N  N44  1  0.00000000  0.75000000  0.27888806  1
  N  N45  1  1.00000000  0.25000000  0.22111194  1
  N  N46  1  0.44222387  0.27888806  0.47111194  1
  N  N47  1  0.55777613  0.22111194  0.02888806  1
