# generated using pymatgen
data_Li3CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34162100
_cell_length_b   9.63207330
_cell_length_c   9.63207392
_cell_angle_alpha   89.99999639
_cell_angle_beta   125.26438626
_cell_angle_gamma   54.73561115
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuN2
_chemical_formula_sum   'Li24 Cu8 N16'
_cell_volume   446.81673479
_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  0.23500900  0.01970300  0.99303700  1.0
  Li  Li1  1  0.76499100  0.75471300  0.50696300  1.0
  Li  Li2  1  0.76499100  0.48029700  0.75802800  1.0
  Li  Li3  1  0.23500900  0.74528700  0.74197200  1.0
  Li  Li4  1  0.24893500  0.75802800  0.26167600  1.0
  Li  Li5  1  0.75106500  0.74197200  0.01274100  1.0
  Li  Li6  1  0.24893500  0.99303700  0.48725900  1.0
  Li  Li7  1  0.75106500  0.50696300  0.23832400  1.0
  Li  Li8  1  0.72558300  0.01274100  0.74528700  1.0
  Li  Li9  1  0.72558300  0.26167600  0.48029700  1.0
  Li  Li10  1  0.27441700  0.23832400  0.75471300  1.0
  Li  Li11  1  0.27441700  0.48725900  0.01970300  1.0
  Li  Li12  1  0.76499100  0.98029700  0.00696300  1.0
  Li  Li13  1  0.23500900  0.24528700  0.49303700  1.0
  Li  Li14  1  0.23500900  0.51970300  0.24197200  1.0
  Li  Li15  1  0.76499100  0.25471300  0.25802800  1.0
  Li  Li16  1  0.75106500  0.24197200  0.73832400  1.0
  Li  Li17  1  0.24893500  0.25802800  0.98725900  1.0
  Li  Li18  1  0.75106500  0.00696300  0.51274100  1.0
  Li  Li19  1  0.24893500  0.49303700  0.76167600  1.0
  Li  Li20  1  0.27441700  0.98725900  0.25471300  1.0
  Li  Li21  1  0.27441700  0.73832400  0.51970300  1.0
  Li  Li22  1  0.72558300  0.76167600  0.24528700  1.0
  Li  Li23  1  0.72558300  0.51274100  0.98029700  1.0
  Cu  Cu24  1  0.24346000  0.00000000  0.74346000  1.0
  Cu  Cu25  1  0.75654000  0.74346000  0.75654000  1.0
  Cu  Cu26  1  0.75654000  0.50000000  0.50000000  1.0
  Cu  Cu27  1  0.24346000  0.75654000  0.00000000  1.0
  Cu  Cu28  1  0.75654000  0.00000000  0.25654000  1.0
  Cu  Cu29  1  0.24346000  0.25654000  0.24346000  1.0
  Cu  Cu30  1  0.24346000  0.50000000  0.50000000  1.0
  Cu  Cu31  1  0.75654000  0.24346000  0.00000000  1.0
  N  N32  1  0.00000000  0.00000000  0.50000000  1.0
  N  N33  1  0.00000000  0.50000000  0.00000000  1.0
  N  N34  1  0.00000000  0.50000000  0.50000000  1.0
  N  N35  1  0.00000000  0.00000000  0.00000000  1.0
  N  N36  1  0.50000000  0.97903900  0.75000000  1.0
  N  N37  1  0.50000000  0.52096100  0.25000000  1.0
  N  N38  1  0.00000000  0.25000000  0.72903900  1.0
  N  N39  1  0.00000000  0.75000000  0.77096100  1.0
  N  N40  1  0.54192100  0.72903900  0.52096100  1.0
  N  N41  1  0.45807900  0.77096100  0.97903900  1.0
  N  N42  1  0.50000000  0.02096100  0.25000000  1.0
  N  N43  1  0.50000000  0.47903900  0.75000000  1.0
  N  N44  1  0.00000000  0.75000000  0.27096100  1.0
  N  N45  1  0.00000000  0.25000000  0.22903900  1.0
  N  N46  1  0.45807900  0.27096100  0.47903900  1.0
  N  N47  1  0.54192100  0.22903900  0.02096100  1.0