# generated using pymatgen
data_LiZrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31602894
_cell_length_b   3.31602894
_cell_length_c   5.38797600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99997893
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZrN2
_chemical_formula_sum   'Li1 Zr1 N2'
_cell_volume   51.30893517
_cell_formula_units_Z   1
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  0.00000000  0.46591000  1
  Zr  Zr1  1  0.33333300  0.66666700  0.02653700  1
  N  N2  1  0.00000000  0.00000000  0.83761400  1
  N  N3  1  0.66666700  0.33333300  0.25293900  1
