# generated using pymatgen
data_Hf9Zr(ReN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56805638
_cell_length_b   8.56805548
_cell_length_c   8.39327942
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999966
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf9Zr(ReN)3
_chemical_formula_sum   'Hf18 Zr2 Re6 N6'
_cell_volume   533.61361302
_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
  Hf  Hf0  1  0.45474037  0.90948074  0.25000000  1.0
  Hf  Hf1  1  0.54525963  0.09051926  0.75000000  1.0
  Hf  Hf2  1  0.09051926  0.54525963  0.25000000  1.0
  Hf  Hf3  1  0.90948074  0.45474037  0.75000000  1.0
  Hf  Hf4  1  0.45474037  0.54525963  0.25000000  1.0
  Hf  Hf5  1  0.54525963  0.45474037  0.75000000  1.0
  Hf  Hf6  1  0.20626829  0.41253758  0.55746046  1.0
  Hf  Hf7  1  0.79373171  0.58746242  0.44253954  1.0
  Hf  Hf8  1  0.58746242  0.79373171  0.55746046  1.0
  Hf  Hf9  1  0.79373171  0.58746242  0.05746046  1.0
  Hf  Hf10  1  0.41253758  0.20626829  0.44253954  1.0
  Hf  Hf11  1  0.20626829  0.41253758  0.94253954  1.0
  Hf  Hf12  1  0.20626829  0.79373171  0.55746046  1.0
  Hf  Hf13  1  0.41253758  0.20626829  0.05746046  1.0
  Hf  Hf14  1  0.79373171  0.20626829  0.44253954  1.0
  Hf  Hf15  1  0.58746242  0.79373171  0.94253954  1.0
  Hf  Hf16  1  0.79373171  0.20626829  0.05746046  1.0
  Hf  Hf17  1  0.20626829  0.79373171  0.94253954  1.0
  Zr  Zr18  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr19  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re20  1  0.11352825  0.22705750  0.25000000  1.0
  Re  Re21  1  0.88647175  0.77294250  0.75000000  1.0
  Re  Re22  1  0.77294250  0.88647175  0.25000000  1.0
  Re  Re23  1  0.22705750  0.11352825  0.75000000  1.0
  Re  Re24  1  0.11352825  0.88647175  0.25000000  1.0
  Re  Re25  1  0.88647175  0.11352825  0.75000000  1.0
  N  N26  1  0.50000000  0.00000000  0.00000000  1.0
  N  N27  1  0.00000000  0.50000000  0.00000000  1.0
  N  N28  1  0.50000000  0.00000000  0.50000000  1.0
  N  N29  1  0.50000000  0.50000000  0.00000000  1.0
  N  N30  1  0.00000000  0.50000000  0.50000000  1.0
  N  N31  1  0.50000000  0.50000000  0.50000000  1.0