# generated using pymatgen
data_Li3ScN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.64549030
_cell_length_b   8.64549030
_cell_length_c   8.64549030
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ScN2
_chemical_formula_sum   'Li24 Sc8 N16'
_cell_volume   497.44720188
_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  0.53738382  0.27422875  0.54225431  1
  Li  Li1  1  0.76315506  0.26802556  0.22577125  1
  Li  Li2  1  0.99512950  0.95774569  0.23197444  1
  Li  Li3  1  0.95774569  0.23197444  0.99512950  1
  Li  Li4  1  0.50487050  0.73684494  0.96261618  1
  Li  Li5  1  0.54225431  0.53738382  0.27422875  1
  Li  Li6  1  0.27422875  0.54225431  0.53738382  1
  Li  Li7  1  0.22577125  0.76315506  0.26802556  1
  Li  Li8  1  0.73684494  0.96261618  0.50487050  1
  Li  Li9  1  0.23197444  0.99512950  0.95774569  1
  Li  Li10  1  0.96261618  0.50487050  0.73684494  1
  Li  Li11  1  0.26802556  0.22577125  0.76315506  1
  Li  Li12  1  0.46261618  0.72577125  0.45774569  1
  Li  Li13  1  0.23684494  0.73197444  0.77422875  1
  Li  Li14  1  0.00487050  0.04225431  0.76802556  1
  Li  Li15  1  0.04225431  0.76802556  0.00487050  1
  Li  Li16  1  0.49512950  0.26315506  0.03738382  1
  Li  Li17  1  0.45774569  0.46261618  0.72577125  1
  Li  Li18  1  0.72577125  0.45774569  0.46261618  1
  Li  Li19  1  0.77422875  0.23684494  0.73197444  1
  Li  Li20  1  0.26315506  0.03738382  0.49512950  1
  Li  Li21  1  0.76802556  0.00487050  0.04225431  1
  Li  Li22  1  0.03738382  0.49512950  0.26315506  1
  Li  Li23  1  0.73197444  0.77422875  0.23684494  1
  Sc  Sc24  1  0.50000000  0.00000000  0.24412616  1
  Sc  Sc25  1  0.00000000  0.24412616  0.50000000  1
  Sc  Sc26  1  0.25587384  0.25587384  0.25587384  1
  Sc  Sc27  1  0.24412616  0.50000000  -0.00000000  1
  Sc  Sc28  1  0.50000000  -0.00000000  0.75587384  1
  Sc  Sc29  1  0.00000000  0.75587384  0.50000000  1
  Sc  Sc30  1  0.74412616  0.74412616  0.74412616  1
  Sc  Sc31  1  0.75587384  0.50000000  0.00000000  1
  N  N32  1  0.50000000  0.00000000  -0.00000000  1
  N  N33  1  -0.00000000  0.00000000  0.50000000  1
  N  N34  1  0.50000000  0.50000000  0.50000000  1
  N  N35  1  -0.00000000  0.50000000  -0.00000000  1
  N  N36  1  0.48843985  0.75000000  0.23843985  1
  N  N37  1  0.23843985  0.48843985  0.75000000  1
  N  N38  1  0.25000000  0.26156015  0.01156015  1
  N  N39  1  0.26156015  0.01156015  0.25000000  1
  N  N40  1  0.75000000  0.23843985  0.48843985  1
  N  N41  1  0.01156015  0.25000000  0.26156015  1
  N  N42  1  0.51156015  0.25000000  0.76156015  1
  N  N43  1  0.76156015  0.51156015  0.25000000  1
  N  N44  1  0.75000000  0.73843985  0.98843985  1
  N  N45  1  0.73843985  0.98843985  0.75000000  1
  N  N46  1  0.25000000  0.76156015  0.51156015  1
  N  N47  1  0.98843985  0.75000000  0.73843985  1
