# generated using pymatgen
data_LiZr2N3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59389764
_cell_length_b   6.60887082
_cell_length_c   4.39860723
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.07514372
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2N3
_chemical_formula_sum   'Li2 Zr4 N6'
_cell_volume   165.87690911
_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  -0.00000000  0.63246963  0.43130191  1
  Li  Li1  1  0.00000000  0.36753037  0.93130191  1
  Zr  Zr2  1  0.31743272  0.33684455  0.43131739  1
  Zr  Zr3  1  0.68256728  0.01941083  0.43131739  1
  Zr  Zr4  1  0.68256728  0.66315545  0.93131739  1
  Zr  Zr5  1  0.31743272  0.98058917  0.93131739  1
  N  N6  1  0.36410300  0.33061104  0.93136261  1
  N  N7  1  0.63589700  0.96650904  0.93136261  1
  N  N8  1  0.63589700  0.66938896  0.43136261  1
  N  N9  1  0.36410300  0.03349096  0.43136261  1
  N  N10  1  -0.00000000  0.68618185  0.93133809  1
  N  N11  1  0.00000000  0.31381815  0.43133809  1
