# generated using pymatgen
data_Zr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46527644
_cell_length_b   3.46527644
_cell_length_c   25.47705924
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3N4
_chemical_formula_sum   'Zr9 N12'
_cell_volume   264.94498314
_cell_formula_units_Z   3
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
  Zr  Zr0  1  0.33333300  0.66666700  0.44437000  1
  Zr  Zr1  1  0.66666700  0.33333300  0.55563000  1
  Zr  Zr2  1  0.66666700  0.33333300  0.33333300  1
  Zr  Zr3  1  0.00000000  0.00000000  0.77770400  1
  Zr  Zr4  1  0.33333300  0.66666700  0.88896300  1
  Zr  Zr5  1  0.33333300  0.66666700  0.66666700  1
  Zr  Zr6  1  0.66666700  0.33333300  0.11103700  1
  Zr  Zr7  1  0.00000000  0.00000000  0.22229600  1
  Zr  Zr8  1  0.00000000  0.00000000  0.00000000  1
  N  N9  1  0.00000000  0.00000000  0.37825800  1
  N  N10  1  0.66666700  0.33333300  0.46546900  1
  N  N11  1  0.33333300  0.66666700  0.53453100  1
  N  N12  1  0.00000000  0.00000000  0.62174200  1
  N  N13  1  0.66666700  0.33333300  0.71159100  1
  N  N14  1  0.33333300  0.66666700  0.79880200  1
  N  N15  1  0.00000000  0.00000000  0.86786400  1
  N  N16  1  0.66666700  0.33333300  0.95507600  1
  N  N17  1  0.33333300  0.66666700  0.04492400  1
  N  N18  1  0.00000000  0.00000000  0.13213600  1
  N  N19  1  0.66666700  0.33333300  0.20119800  1
  N  N20  1  0.33333300  0.66666700  0.28840900  1
