# generated using pymatgen
data_Li3ZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.82209000
_cell_length_b   10.18687170
_cell_length_c   10.18687272
_cell_angle_alpha   89.99999424
_cell_angle_beta   125.26438480
_cell_angle_gamma   54.73561114
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3ZrN2
_chemical_formula_sum   'Li24 Zr8 N16'
_cell_volume   528.55792731
_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  0.20757500  0.06123900  0.00036400  1
  Li  Li1  1  0.79242500  0.76881500  0.49963600  1
  Li  Li2  1  0.79242500  0.43876100  0.79278800  1
  Li  Li3  1  0.20757500  0.73118500  0.70721200  1
  Li  Li4  1  0.20684800  0.79278800  0.26845100  1
  Li  Li5  1  0.79315200  0.70721200  0.06160300  1
  Li  Li6  1  0.20684800  0.00036400  0.43839700  1
  Li  Li7  1  0.79315200  0.49963600  0.23154900  1
  Li  Li8  1  0.66994600  0.06160300  0.73118500  1
  Li  Li9  1  0.66994600  0.26845100  0.43876100  1
  Li  Li10  1  0.33005400  0.23154900  0.76881500  1
  Li  Li11  1  0.33005400  0.43839700  0.06123900  1
  Li  Li12  1  0.79242500  0.93876100  0.99963600  1
  Li  Li13  1  0.20757500  0.23118500  0.50036400  1
  Li  Li14  1  0.20757500  0.56123900  0.20721200  1
  Li  Li15  1  0.79242500  0.26881500  0.29278800  1
  Li  Li16  1  0.79315200  0.20721200  0.73154900  1
  Li  Li17  1  0.20684800  0.29278800  0.93839700  1
  Li  Li18  1  0.79315200  0.99963600  0.56160300  1
  Li  Li19  1  0.20684800  0.50036400  0.76845100  1
  Li  Li20  1  0.33005400  0.93839700  0.26881500  1
  Li  Li21  1  0.33005400  0.73154900  0.56123900  1
  Li  Li22  1  0.66994600  0.76845100  0.23118500  1
  Li  Li23  1  0.66994600  0.56160300  0.93876100  1
  Zr  Zr24  1  0.24259700  0.00000000  0.74259700  1
  Zr  Zr25  1  0.75740300  0.74259700  0.75740300  1
  Zr  Zr26  1  0.75740300  0.50000000  0.50000000  1
  Zr  Zr27  1  0.24259700  0.75740300  0.00000000  1
  Zr  Zr28  1  0.75740300  0.00000000  0.25740300  1
  Zr  Zr29  1  0.24259700  0.25740300  0.24259700  1
  Zr  Zr30  1  0.24259700  0.50000000  0.50000000  1
  Zr  Zr31  1  0.75740300  0.24259700  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  0.99175700  0.75000000  1
  N  N37  1  0.50000000  0.50824300  0.25000000  1
  N  N38  1  0.00000000  0.25000000  0.74175700  1
  N  N39  1  0.00000000  0.75000000  0.75824300  1
  N  N40  1  0.51648500  0.74175700  0.50824300  1
  N  N41  1  0.48351500  0.75824300  0.99175700  1
  N  N42  1  0.50000000  0.00824300  0.25000000  1
  N  N43  1  0.50000000  0.49175700  0.75000000  1
  N  N44  1  0.00000000  0.75000000  0.25824300  1
  N  N45  1  0.00000000  0.25000000  0.24175700  1
  N  N46  1  0.48351500  0.25824300  0.49175700  1
  N  N47  1  0.51648500  0.24175700  0.00824300  1
