# generated using pymatgen
data_Li3CuN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99388083
_cell_length_b   7.33669900
_cell_length_c   6.60545347
_cell_angle_alpha   90.00000000
_cell_angle_beta   123.46216101
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3CuN2
_chemical_formula_sum   'Li12 Cu4 N8'
_cell_volume   242.33030896
_cell_formula_units_Z   4
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  0.25807000  0.99776600  0.91241500  1
  Li  Li1  1  0.74193000  0.49776600  0.58758500  1
  Li  Li2  1  0.74193000  0.00223400  0.08758500  1
  Li  Li3  1  0.25807000  0.50223400  0.41241500  1
  Li  Li4  1  0.25801400  0.50226400  0.84544500  1
  Li  Li5  1  0.74198600  0.00226400  0.65455500  1
  Li  Li6  1  0.74198600  0.49773600  0.15455500  1
  Li  Li7  1  0.25801400  0.99773600  0.34544500  1
  Li  Li8  1  0.65781300  0.28062600  0.82912000  1
  Li  Li9  1  0.34218700  0.78062600  0.67088000  1
  Li  Li10  1  0.34218700  0.71937400  0.17088000  1
  Li  Li11  1  0.65781300  0.21937400  0.32912000  1
  Cu  Cu12  1  0.14613200  0.19679500  0.57294800  1
  Cu  Cu13  1  0.85386800  0.69679500  0.92705200  1
  Cu  Cu14  1  0.85386800  0.80320500  0.42705200  1
  Cu  Cu15  1  0.14613200  0.30320500  0.07294800  1
  N  N16  1  0.45066800  0.04578100  0.72530600  1
  N  N17  1  0.54933200  0.54578100  0.77469400  1
  N  N18  1  0.54933200  0.95421900  0.27469400  1
  N  N19  1  0.45066800  0.45421900  0.22530600  1
  N  N20  1  0.99281900  0.25001300  0.74624700  1
  N  N21  1  0.00718100  0.75001300  0.75375300  1
  N  N22  1  0.00718100  0.74998700  0.25375300  1
  N  N23  1  0.99281900  0.24998700  0.24624700  1
