# generated using pymatgen
data_Zr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21124952
_cell_length_b   9.21124952
_cell_length_c   9.21124952
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3N4
_chemical_formula_sum   'Zr24 N32'
_cell_volume   781.54797237
_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
  Zr  Zr0  1  0.87500000  0.37500000  0.12500000  1
  Zr  Zr1  1  0.12500000  0.62500000  0.12500000  1
  Zr  Zr2  1  0.75000000  0.25000000  0.75000000  1
  Zr  Zr3  1  0.37500000  0.12500000  0.87500000  1
  Zr  Zr4  1  0.50000000  0.50000000  0.00000000  1
  Zr  Zr5  1  0.12500000  0.37500000  0.87500000  1
  Zr  Zr6  1  0.87500000  0.87500000  0.62500000  1
  Zr  Zr7  1  0.12500000  0.12500000  0.62500000  1
  Zr  Zr8  1  0.75000000  0.75000000  0.25000000  1
  Zr  Zr9  1  0.37500000  0.62500000  0.37500000  1
  Zr  Zr10  1  0.50000000  0.00000000  0.50000000  1
  Zr  Zr11  1  0.12500000  0.87500000  0.37500000  1
  Zr  Zr12  1  0.37500000  0.37500000  0.62500000  1
  Zr  Zr13  1  0.62500000  0.62500000  0.62500000  1
  Zr  Zr14  1  0.25000000  0.25000000  0.25000000  1
  Zr  Zr15  1  0.87500000  0.12500000  0.37500000  1
  Zr  Zr16  1  0.00000000  0.50000000  0.50000000  1
  Zr  Zr17  1  0.62500000  0.37500000  0.37500000  1
  Zr  Zr18  1  0.37500000  0.87500000  0.12500000  1
  Zr  Zr19  1  0.62500000  0.12500000  0.12500000  1
  Zr  Zr20  1  0.25000000  0.75000000  0.75000000  1
  Zr  Zr21  1  0.87500000  0.62500000  0.87500000  1
  Zr  Zr22  1  0.00000000  0.00000000  0.00000000  1
  Zr  Zr23  1  0.62500000  0.87500000  0.87500000  1
  N  N24  1  0.13276000  0.13276000  0.86724000  1
  N  N25  1  0.13276000  0.36724000  0.63276000  1
  N  N26  1  0.36724000  0.36724000  0.86724000  1
  N  N27  1  0.36724000  0.13276000  0.63276000  1
  N  N28  1  0.88276000  0.38276000  0.88276000  1
  N  N29  1  0.88276000  0.61724000  0.11724000  1
  N  N30  1  0.11724000  0.61724000  0.88276000  1
  N  N31  1  0.11724000  0.38276000  0.11724000  1
  N  N32  1  0.13276000  0.63276000  0.36724000  1
  N  N33  1  0.13276000  0.86724000  0.13276000  1
  N  N34  1  0.36724000  0.86724000  0.36724000  1
  N  N35  1  0.36724000  0.63276000  0.13276000  1
  N  N36  1  0.88276000  0.88276000  0.38276000  1
  N  N37  1  0.88276000  0.11724000  0.61724000  1
  N  N38  1  0.11724000  0.11724000  0.38276000  1
  N  N39  1  0.11724000  0.88276000  0.61724000  1
  N  N40  1  0.63276000  0.13276000  0.36724000  1
  N  N41  1  0.63276000  0.36724000  0.13276000  1
  N  N42  1  0.86724000  0.36724000  0.36724000  1
  N  N43  1  0.86724000  0.13276000  0.13276000  1
  N  N44  1  0.38276000  0.38276000  0.38276000  1
  N  N45  1  0.38276000  0.61724000  0.61724000  1
  N  N46  1  0.61724000  0.61724000  0.38276000  1
  N  N47  1  0.61724000  0.38276000  0.61724000  1
  N  N48  1  0.63276000  0.63276000  0.86724000  1
  N  N49  1  0.63276000  0.86724000  0.63276000  1
  N  N50  1  0.86724000  0.86724000  0.86724000  1
  N  N51  1  0.86724000  0.63276000  0.63276000  1
  N  N52  1  0.38276000  0.88276000  0.88276000  1
  N  N53  1  0.38276000  0.11724000  0.11724000  1
  N  N54  1  0.61724000  0.11724000  0.88276000  1
  N  N55  1  0.61724000  0.88276000  0.11724000  1
