# generated using pymatgen
data_Zr4Ni2N
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.27595050
_cell_length_b   12.27595050
_cell_length_c   12.27595050
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4Ni2N
_chemical_formula_sum   'Zr64 Ni32 N16'
_cell_volume   1849.97298169
_cell_formula_units_Z   16
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  0.12500000  0.87500000  0.37500000  1
  Zr  Zr1  1  0.37500000  0.12500000  0.87500000  1
  Zr  Zr2  1  0.37500000  0.37500000  0.62500000  1
  Zr  Zr3  1  0.12500000  0.12500000  0.62500000  1
  Zr  Zr4  1  0.50000000  0.00000000  0.31648600  1
  Zr  Zr5  1  0.50000000  0.00000000  0.68351400  1
  Zr  Zr6  1  0.50000000  0.81648600  0.50000000  1
  Zr  Zr7  1  0.50000000  0.18351400  0.50000000  1
  Zr  Zr8  1  0.31648600  0.00000000  0.50000000  1
  Zr  Zr9  1  0.18351400  0.00000000  0.00000000  1
  Zr  Zr10  1  0.25000000  0.25000000  0.43351400  1
  Zr  Zr11  1  0.25000000  0.25000000  0.06648600  1
  Zr  Zr12  1  0.25000000  0.43351400  0.25000000  1
  Zr  Zr13  1  0.25000000  0.06648600  0.25000000  1
  Zr  Zr14  1  0.43351400  0.25000000  0.25000000  1
  Zr  Zr15  1  0.56648600  0.25000000  0.75000000  1
  Zr  Zr16  1  0.12500000  0.37500000  0.87500000  1
  Zr  Zr17  1  0.37500000  0.62500000  0.37500000  1
  Zr  Zr18  1  0.37500000  0.87500000  0.12500000  1
  Zr  Zr19  1  0.12500000  0.62500000  0.12500000  1
  Zr  Zr20  1  0.50000000  0.50000000  0.81648600  1
  Zr  Zr21  1  0.50000000  0.50000000  0.18351400  1
  Zr  Zr22  1  0.50000000  0.31648600  0.00000000  1
  Zr  Zr23  1  0.50000000  0.68351400  0.00000000  1
  Zr  Zr24  1  0.31648600  0.50000000  0.00000000  1
  Zr  Zr25  1  0.18351400  0.50000000  0.50000000  1
  Zr  Zr26  1  0.25000000  0.75000000  0.93351400  1
  Zr  Zr27  1  0.25000000  0.75000000  0.56648600  1
  Zr  Zr28  1  0.25000000  0.93351400  0.75000000  1
  Zr  Zr29  1  0.25000000  0.56648600  0.75000000  1
  Zr  Zr30  1  0.43351400  0.75000000  0.75000000  1
  Zr  Zr31  1  0.56648600  0.75000000  0.25000000  1
  Zr  Zr32  1  0.62500000  0.87500000  0.87500000  1
  Zr  Zr33  1  0.87500000  0.12500000  0.37500000  1
  Zr  Zr34  1  0.87500000  0.37500000  0.12500000  1
  Zr  Zr35  1  0.62500000  0.12500000  0.12500000  1
  Zr  Zr36  1  0.00000000  0.00000000  0.81648600  1
  Zr  Zr37  1  0.00000000  0.00000000  0.18351400  1
  Zr  Zr38  1  0.00000000  0.81648600  0.00000000  1
  Zr  Zr39  1  0.00000000  0.18351400  0.00000000  1
  Zr  Zr40  1  0.81648600  0.00000000  0.00000000  1
  Zr  Zr41  1  0.68351400  0.00000000  0.50000000  1
  Zr  Zr42  1  0.75000000  0.25000000  0.93351400  1
  Zr  Zr43  1  0.75000000  0.25000000  0.56648600  1
  Zr  Zr44  1  0.75000000  0.43351400  0.75000000  1
  Zr  Zr45  1  0.75000000  0.06648600  0.75000000  1
  Zr  Zr46  1  0.93351400  0.25000000  0.75000000  1
  Zr  Zr47  1  0.06648600  0.25000000  0.25000000  1
  Zr  Zr48  1  0.62500000  0.37500000  0.37500000  1
  Zr  Zr49  1  0.87500000  0.62500000  0.87500000  1
  Zr  Zr50  1  0.87500000  0.87500000  0.62500000  1
  Zr  Zr51  1  0.62500000  0.62500000  0.62500000  1
  Zr  Zr52  1  0.00000000  0.50000000  0.31648600  1
  Zr  Zr53  1  0.00000000  0.50000000  0.68351400  1
  Zr  Zr54  1  0.00000000  0.31648600  0.50000000  1
  Zr  Zr55  1  0.00000000  0.68351400  0.50000000  1
  Zr  Zr56  1  0.81648600  0.50000000  0.50000000  1
  Zr  Zr57  1  0.68351400  0.50000000  0.00000000  1
  Zr  Zr58  1  0.75000000  0.75000000  0.43351400  1
  Zr  Zr59  1  0.75000000  0.75000000  0.06648600  1
  Zr  Zr60  1  0.75000000  0.93351400  0.25000000  1
  Zr  Zr61  1  0.75000000  0.56648600  0.25000000  1
  Zr  Zr62  1  0.93351400  0.75000000  0.25000000  1
  Zr  Zr63  1  0.06648600  0.75000000  0.75000000  1
  Ni  Ni64  1  0.41077200  0.08922800  0.08922800  1
  Ni  Ni65  1  0.58922800  0.41077200  0.58922800  1
  Ni  Ni66  1  0.58922800  0.08922800  0.91077200  1
  Ni  Ni67  1  0.41077200  0.41077200  0.41077200  1
  Ni  Ni68  1  0.33922800  0.16077200  0.66077200  1
  Ni  Ni69  1  0.16077200  0.83922800  0.16077200  1
  Ni  Ni70  1  0.16077200  0.16077200  0.83922800  1
  Ni  Ni71  1  0.33922800  0.83922800  0.33922800  1
  Ni  Ni72  1  0.41077200  0.58922800  0.58922800  1
  Ni  Ni73  1  0.58922800  0.91077200  0.08922800  1
  Ni  Ni74  1  0.58922800  0.58922800  0.41077200  1
  Ni  Ni75  1  0.41077200  0.91077200  0.91077200  1
  Ni  Ni76  1  0.33922800  0.66077200  0.16077200  1
  Ni  Ni77  1  0.16077200  0.33922800  0.66077200  1
  Ni  Ni78  1  0.16077200  0.66077200  0.33922800  1
  Ni  Ni79  1  0.33922800  0.33922800  0.83922800  1
  Ni  Ni80  1  0.91077200  0.08922800  0.58922800  1
  Ni  Ni81  1  0.08922800  0.41077200  0.08922800  1
  Ni  Ni82  1  0.08922800  0.08922800  0.41077200  1
  Ni  Ni83  1  0.91077200  0.41077200  0.91077200  1
  Ni  Ni84  1  0.83922800  0.16077200  0.16077200  1
  Ni  Ni85  1  0.66077200  0.83922800  0.66077200  1
  Ni  Ni86  1  0.66077200  0.16077200  0.33922800  1
  Ni  Ni87  1  0.83922800  0.83922800  0.83922800  1
  Ni  Ni88  1  0.91077200  0.58922800  0.08922800  1
  Ni  Ni89  1  0.08922800  0.91077200  0.58922800  1
  Ni  Ni90  1  0.08922800  0.58922800  0.91077200  1
  Ni  Ni91  1  0.91077200  0.91077200  0.41077200  1
  Ni  Ni92  1  0.83922800  0.66077200  0.66077200  1
  Ni  Ni93  1  0.66077200  0.33922800  0.16077200  1
  Ni  Ni94  1  0.66077200  0.66077200  0.83922800  1
  Ni  Ni95  1  0.83922800  0.33922800  0.33922800  1
  N  N96  1  0.12500000  0.37500000  0.37500000  1
  N  N97  1  0.37500000  0.12500000  0.37500000  1
  N  N98  1  0.37500000  0.87500000  0.62500000  1
  N  N99  1  0.12500000  0.12500000  0.12500000  1
  N  N100  1  0.12500000  0.87500000  0.87500000  1
  N  N101  1  0.37500000  0.62500000  0.87500000  1
  N  N102  1  0.37500000  0.37500000  0.12500000  1
  N  N103  1  0.12500000  0.62500000  0.62500000  1
  N  N104  1  0.62500000  0.37500000  0.87500000  1
  N  N105  1  0.87500000  0.12500000  0.87500000  1
  N  N106  1  0.87500000  0.87500000  0.12500000  1
  N  N107  1  0.62500000  0.12500000  0.62500000  1
  N  N108  1  0.62500000  0.87500000  0.37500000  1
  N  N109  1  0.87500000  0.62500000  0.37500000  1
  N  N110  1  0.87500000  0.37500000  0.62500000  1
  N  N111  1  0.62500000  0.62500000  0.12500000  1
