# generated using pymatgen
data_Li3CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34162070
_cell_length_b   9.63207350
_cell_length_c   9.63207408
_cell_angle_alpha   89.99999658
_cell_angle_beta   125.26438651
_cell_angle_gamma   54.73561103
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuN2
_chemical_formula_sum   'Li24 Cu8 N16'
_cell_volume   446.81673314
_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  0.23500928  0.01970345  0.99303749  1
  Li  Li1  1  0.76499072  0.75471274  0.50696251  1
  Li  Li2  1  0.76499072  0.48029655  0.75802821  1
  Li  Li3  1  0.23500928  0.74528726  0.74197179  1
  Li  Li4  1  0.24893530  0.75802821  0.26167625  1
  Li  Li5  1  0.75106470  0.74197179  0.01274094  1
  Li  Li6  1  0.24893530  0.99303749  0.48725906  1
  Li  Li7  1  0.75106470  0.50696251  0.23832375  1
  Li  Li8  1  0.72558281  0.01274094  0.74528726  1
  Li  Li9  1  0.72558281  0.26167625  0.48029655  1
  Li  Li10  1  0.27441719  0.23832375  0.75471274  1
  Li  Li11  1  0.27441719  0.48725906  0.01970345  1
  Li  Li12  1  0.76499072  0.98029655  0.00696251  1
  Li  Li13  1  0.23500928  0.24528726  0.49303749  1
  Li  Li14  1  0.23500928  0.51970345  0.24197179  1
  Li  Li15  1  0.76499072  0.25471274  0.25802821  1
  Li  Li16  1  0.75106470  0.24197179  0.73832375  1
  Li  Li17  1  0.24893530  0.25802821  0.98725906  1
  Li  Li18  1  0.75106470  0.00696251  0.51274094  1
  Li  Li19  1  0.24893530  0.49303749  0.76167625  1
  Li  Li20  1  0.27441719  0.98725906  0.25471274  1
  Li  Li21  1  0.27441719  0.73832375  0.51970345  1
  Li  Li22  1  0.72558281  0.76167625  0.24528726  1
  Li  Li23  1  0.72558281  0.51274094  0.98029655  1
  Cu  Cu24  1  0.24345973  -0.00000000  0.74345973  1
  Cu  Cu25  1  0.75654027  0.74345973  0.75654027  1
  Cu  Cu26  1  0.75654027  0.50000000  0.50000000  1
  Cu  Cu27  1  0.24345973  0.75654027  -0.00000000  1
  Cu  Cu28  1  0.75654027  0.00000000  0.25654027  1
  Cu  Cu29  1  0.24345973  0.25654027  0.24345973  1
  Cu  Cu30  1  0.24345973  0.50000000  0.50000000  1
  Cu  Cu31  1  0.75654027  0.24345973  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  0.97903887  0.75000000  1
  N  N37  1  0.50000000  0.52096113  0.25000000  1
  N  N38  1  -0.00000000  0.25000000  0.72903887  1
  N  N39  1  0.00000000  0.75000000  0.77096113  1
  N  N40  1  0.54192125  0.72903887  0.52096113  1
  N  N41  1  0.45807875  0.77096113  0.97903887  1
  N  N42  1  0.50000000  0.02096113  0.25000000  1
  N  N43  1  0.50000000  0.47903887  0.75000000  1
  N  N44  1  0.00000000  0.75000000  0.27096113  1
  N  N45  1  -0.00000000  0.25000000  0.22903887  1
  N  N46  1  0.45807875  0.27096113  0.47903887  1
  N  N47  1  0.54192125  0.22903887  0.02096113  1
