# generated using pymatgen
data_Li3ZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11041769
_cell_length_b   10.88545400
_cell_length_c   6.12140567
_cell_angle_alpha   90.00000000
_cell_angle_beta   118.60983798
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ZrN2
_chemical_formula_sum   'Li12 Zr4 N8'
_cell_volume   357.44895856
_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  0.22920600  0.06363800  0.04623400  1
  Li  Li1  1  0.77079400  0.56363800  0.45376600  1
  Li  Li2  1  0.77079400  0.93636200  0.95376600  1
  Li  Li3  1  0.22920600  0.43636200  0.54623400  1
  Li  Li4  1  0.31959500  0.52471000  0.04265000  1
  Li  Li5  1  0.68040500  0.02471000  0.45735000  1
  Li  Li6  1  0.68040500  0.47529000  0.95735000  1
  Li  Li7  1  0.31959500  0.97529000  0.54265000  1
  Li  Li8  1  0.02799800  0.29908400  0.76607400  1
  Li  Li9  1  0.97200200  0.79908400  0.73392600  1
  Li  Li10  1  0.97200200  0.70091600  0.23392600  1
  Li  Li11  1  0.02799800  0.20091600  0.26607400  1
  Zr  Zr12  1  0.51565600  0.20376900  0.76597400  1
  Zr  Zr13  1  0.48434400  0.70376900  0.73402600  1
  Zr  Zr14  1  0.48434400  0.79623100  0.23402600  1
  Zr  Zr15  1  0.51565600  0.29623100  0.26597400  1
  N  N16  1  0.61206800  0.85363900  0.60429000  1
  N  N17  1  0.38793200  0.35363900  0.89571000  1
  N  N18  1  0.38793200  0.14636100  0.39571000  1
  N  N19  1  0.61206800  0.64636100  0.10429000  1
  N  N20  1  0.48875800  0.55301300  0.54829100  1
  N  N21  1  0.51124200  0.05301300  0.95170900  1
  N  N22  1  0.51124200  0.44698700  0.45170900  1
  N  N23  1  0.48875800  0.94698700  0.04829100  1
