# generated using pymatgen
data_Li5NCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65927300
_cell_length_b   6.75900900
_cell_length_c   9.24906679
_cell_angle_alpha   85.10913235
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li5NCl2
_chemical_formula_sum   'Li10 N2 Cl4'
_cell_volume   227.92478587
_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
  Li  Li0  1  0.50000000  0.46913300  0.72998700  1
  Li  Li1  1  0.00000000  0.03914900  0.74678600  1
  Li  Li2  1  0.00000000  0.96085100  0.25321400  1
  Li  Li3  1  0.00000000  0.37207900  0.43593400  1
  Li  Li4  1  0.00000000  0.67521400  0.10737000  1
  Li  Li5  1  0.00000000  0.32478600  0.89263000  1
  Li  Li6  1  0.50000000  0.53086700  0.27001300  1
  Li  Li7  1  0.50000000  0.78615500  0.40178200  1
  Li  Li8  1  0.00000000  0.62792100  0.56406600  1
  Li  Li9  1  0.50000000  0.21384500  0.59821800  1
  N  N10  1  0.00000000  0.33571600  0.66654200  1
  N  N11  1  0.00000000  0.66428400  0.33345800  1
  Cl  Cl12  1  0.50000000  0.83416000  0.66097400  1
  Cl  Cl13  1  0.00000000  0.00000000  0.00000000  1
  Cl  Cl14  1  0.50000000  0.50000000  0.00000000  1
  Cl  Cl15  1  0.50000000  0.16584000  0.33902600  1
