# generated using pymatgen
data_Zr(NiN)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46238508
_cell_length_b   5.60898134
_cell_length_c   7.45307624
_cell_angle_alpha   97.57524981
_cell_angle_beta   99.23685702
_cell_angle_gamma   117.52376202
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr(NiN)4
_chemical_formula_sum   'Zr2 Ni8 N8'
_cell_volume   194.26531279
_cell_formula_units_Z   2
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  0.30874000  0.54662600  0.80621000  1
  Zr  Zr1  1  0.69126000  0.45337400  0.19379000  1
  Ni  Ni2  1  0.53771600  0.88044300  0.21627600  1
  Ni  Ni3  1  0.46228400  0.11955700  0.78372400  1
  Ni  Ni4  1  0.88599100  0.08838800  0.91534200  1
  Ni  Ni5  1  0.11400900  0.91161200  0.08465800  1
  Ni  Ni6  1  0.76177400  0.03490700  0.55324000  1
  Ni  Ni7  1  0.23822600  0.96509300  0.44676000  1
  Ni  Ni8  1  0.78392700  0.56692900  0.61666200  1
  Ni  Ni9  1  0.21607300  0.43307100  0.38333800  1
  N  N10  1  0.37668000  0.32593900  0.58850300  1
  N  N11  1  0.62332000  0.67406100  0.41149700  1
  N  N12  1  0.71022200  0.80189200  0.02936300  1
  N  N13  1  0.28977800  0.19810800  0.97063700  1
  N  N14  1  0.84915000  0.31212100  0.76508000  1
  N  N15  1  0.15085000  0.68787900  0.23492000  1
  N  N16  1  0.83121800  0.22284500  0.36328300  1
  N  N17  1  0.16878200  0.77715500  0.63671700  1
