# generated using pymatgen
data_Hf9Ta(ReN)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.52983295
_cell_length_b   8.52983387
_cell_length_c   8.37899104
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000408
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf9Ta(ReN)3
_chemical_formula_sum   'Hf18 Ta2 Re6 N6'
_cell_volume   527.96293957
_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  0.45469724  0.90939349  0.25000000  1.0
  Hf  Hf1  1  0.54530276  0.09060651  0.75000000  1.0
  Hf  Hf2  1  0.09060651  0.54530276  0.25000000  1.0
  Hf  Hf3  1  0.90939349  0.45469724  0.75000000  1.0
  Hf  Hf4  1  0.45469724  0.54530276  0.25000000  1.0
  Hf  Hf5  1  0.54530276  0.45469724  0.75000000  1.0
  Hf  Hf6  1  0.20495715  0.40991530  0.55781276  1.0
  Hf  Hf7  1  0.79504285  0.59008470  0.44218724  1.0
  Hf  Hf8  1  0.59008470  0.79504285  0.55781276  1.0
  Hf  Hf9  1  0.79504285  0.59008470  0.05781276  1.0
  Hf  Hf10  1  0.40991530  0.20495715  0.44218724  1.0
  Hf  Hf11  1  0.20495715  0.40991530  0.94218724  1.0
  Hf  Hf12  1  0.20495715  0.79504285  0.55781276  1.0
  Hf  Hf13  1  0.40991530  0.20495715  0.05781276  1.0
  Hf  Hf14  1  0.79504285  0.20495715  0.44218724  1.0
  Hf  Hf15  1  0.59008470  0.79504285  0.94218724  1.0
  Hf  Hf16  1  0.79504285  0.20495715  0.05781276  1.0
  Hf  Hf17  1  0.20495715  0.79504285  0.94218724  1.0
  Ta  Ta18  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta19  1  0.00000000  0.00000000  0.50000000  1.0
  Re  Re20  1  0.11180712  0.22361423  0.25000000  1.0
  Re  Re21  1  0.88819288  0.77638577  0.75000000  1.0
  Re  Re22  1  0.77638577  0.88819288  0.25000000  1.0
  Re  Re23  1  0.22361423  0.11180712  0.75000000  1.0
  Re  Re24  1  0.11180712  0.88819288  0.25000000  1.0
  Re  Re25  1  0.88819288  0.11180712  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