# generated using pymatgen
data_Li5NCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.71101904
_cell_length_b   9.71101904
_cell_length_c   9.71101862
_cell_angle_alpha   21.45604572
_cell_angle_beta   21.45604741
_cell_angle_gamma   21.45604216
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5NCl2
_chemical_formula_sum   'Li5 N1 Cl2'
_cell_volume   107.35600604
_cell_formula_units_Z   1
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  0.50000000  0.50000000  0.50000000  1
  Li  Li1  1  0.93292666  0.93292666  0.93292666  1
  Li  Li2  1  0.06707334  0.06707334  0.06707334  1
  Li  Li3  1  0.67438427  0.67438427  0.67438427  1
  Li  Li4  1  0.32561573  0.32561573  0.32561573  1
  N  N5  1  -0.00000000  -0.00000000  0.00000000  1
  Cl  Cl6  1  0.21822532  0.21822532  0.21822532  1
  Cl  Cl7  1  0.78177468  0.78177468  0.78177468  1
