# generated using pymatgen
data_Zr3N2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68011407
_cell_length_b   5.68011407
_cell_length_c   15.78751789
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3N2
_chemical_formula_sum   'Zr18 N12'
_cell_volume   441.12188266
_cell_formula_units_Z   6
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  0.34130100  0.33333300  0.08333300  1
  Zr  Zr1  1  0.99203200  0.65869900  0.08333300  1
  Zr  Zr2  1  0.66666700  0.00796800  0.08333300  1
  Zr  Zr3  1  0.00000000  0.32536600  0.25000000  1
  Zr  Zr4  1  0.67463400  0.67463400  0.25000000  1
  Zr  Zr5  1  0.32536600  0.00000000  0.25000000  1
  Zr  Zr6  1  0.00796800  0.66666700  0.41666700  1
  Zr  Zr7  1  0.65869900  0.99203200  0.41666700  1
  Zr  Zr8  1  0.33333300  0.34130100  0.41666700  1
  Zr  Zr9  1  0.66666700  0.65869900  0.58333300  1
  Zr  Zr10  1  0.34130100  0.00796800  0.58333300  1
  Zr  Zr11  1  0.99203200  0.33333300  0.58333300  1
  Zr  Zr12  1  0.67463400  0.00000000  0.75000000  1
  Zr  Zr13  1  0.32536600  0.32536600  0.75000000  1
  Zr  Zr14  1  0.00000000  0.67463400  0.75000000  1
  Zr  Zr15  1  0.33333300  0.99203200  0.91666700  1
  Zr  Zr16  1  0.00796800  0.34130100  0.91666700  1
  Zr  Zr17  1  0.65869900  0.66666700  0.91666700  1
  N  N18  1  0.33333300  0.66666700  0.00545800  1
  N  N19  1  0.00000000  0.00000000  0.16120900  1
  N  N20  1  0.66666700  0.33333300  0.17212400  1
  N  N21  1  0.33333300  0.66666700  0.32787600  1
  N  N22  1  0.00000000  0.00000000  0.33879100  1
  N  N23  1  0.66666700  0.33333300  0.49454200  1
  N  N24  1  0.33333300  0.66666700  0.50545800  1
  N  N25  1  0.00000000  0.00000000  0.66120900  1
  N  N26  1  0.66666700  0.33333300  0.67212400  1
  N  N27  1  0.33333300  0.66666700  0.82787600  1
  N  N28  1  0.00000000  0.00000000  0.83879100  1
  N  N29  1  0.66666700  0.33333300  0.99454200  1
