# generated using pymatgen
data_Zr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.89617148
_cell_length_b   3.30171680
_cell_length_c   10.90356892
_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   'Zr12 N16'
_cell_volume   356.26708854
_cell_formula_units_Z   4
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  0.75000000  0.77031700  0.85296600  1
  Zr  Zr1  1  0.25000000  0.56979500  0.62447200  1
  Zr  Zr2  1  0.25000000  0.60697800  0.09354400  1
  Zr  Zr3  1  0.25000000  0.72968300  0.35296600  1
  Zr  Zr4  1  0.75000000  0.27031700  0.64703400  1
  Zr  Zr5  1  0.25000000  0.22968300  0.14703400  1
  Zr  Zr6  1  0.75000000  0.93020500  0.12447200  1
  Zr  Zr7  1  0.75000000  0.89302200  0.59354400  1
  Zr  Zr8  1  0.25000000  0.10697800  0.40645600  1
  Zr  Zr9  1  0.75000000  0.43020500  0.37552800  1
  Zr  Zr10  1  0.25000000  0.06979500  0.87552800  1
  Zr  Zr11  1  0.75000000  0.39302200  0.90645600  1
  N  N12  1  0.75000000  0.14312100  0.01834700  1
  N  N13  1  0.75000000  0.10294000  0.52862700  1
  N  N14  1  0.25000000  0.39706000  0.02862700  1
  N  N15  1  0.75000000  0.49455100  0.72565000  1
  N  N16  1  0.25000000  0.00544900  0.22565000  1
  N  N17  1  0.25000000  0.76358500  0.71439400  1
  N  N18  1  0.25000000  0.89706000  0.47137300  1
  N  N19  1  0.25000000  0.50544900  0.27435000  1
  N  N20  1  0.25000000  0.26358500  0.78560600  1
  N  N21  1  0.75000000  0.73641500  0.21439400  1
  N  N22  1  0.75000000  0.60294000  0.97137300  1
  N  N23  1  0.75000000  0.99455100  0.77435000  1
  N  N24  1  0.25000000  0.85687900  0.98165300  1
  N  N25  1  0.75000000  0.23641500  0.28560600  1
  N  N26  1  0.75000000  0.64312100  0.48165300  1
  N  N27  1  0.25000000  0.35687900  0.51834700  1
