# generated using pymatgen
data_Zr3N4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81153899
_cell_length_b   6.81153899
_cell_length_c   6.81153899
_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   316.03540645
_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  0.50000000  0.25000000  0.62500000  1
  Zr  Zr1  1  0.75000000  0.87500000  0.50000000  1
  Zr  Zr2  1  0.75000000  0.12500000  0.00000000  1
  Zr  Zr3  1  0.62500000  0.50000000  0.25000000  1
  Zr  Zr4  1  0.87500000  0.50000000  0.75000000  1
  Zr  Zr5  1  0.00000000  0.25000000  0.37500000  1
  Zr  Zr6  1  0.00000000  0.75000000  0.12500000  1
  Zr  Zr7  1  0.25000000  0.37500000  0.00000000  1
  Zr  Zr8  1  0.25000000  0.62500000  0.50000000  1
  Zr  Zr9  1  0.12500000  0.00000000  0.75000000  1
  Zr  Zr10  1  0.37500000  0.00000000  0.25000000  1
  Zr  Zr11  1  0.50000000  0.75000000  0.87500000  1
  N  N12  1  0.81845100  0.81845100  0.81845100  1
  N  N13  1  0.93154900  0.43154900  0.06845100  1
  N  N14  1  0.43154900  0.06845100  0.93154900  1
  N  N15  1  0.56845100  0.43154900  0.93154900  1
  N  N16  1  0.18154900  0.31845100  0.68154900  1
  N  N17  1  0.81845100  0.18154900  0.68154900  1
  N  N18  1  0.56845100  0.56845100  0.56845100  1
  N  N19  1  0.18154900  0.68154900  0.81845100  1
  N  N20  1  0.31845100  0.31845100  0.31845100  1
  N  N21  1  0.43154900  0.93154900  0.56845100  1
  N  N22  1  0.93154900  0.56845100  0.43154900  1
  N  N23  1  0.06845100  0.93154900  0.43154900  1
  N  N24  1  0.68154900  0.81845100  0.18154900  1
  N  N25  1  0.31845100  0.68154900  0.18154900  1
  N  N26  1  0.06845100  0.06845100  0.06845100  1
  N  N27  1  0.68154900  0.18154900  0.31845100  1
