# generated using pymatgen
data_Hf2(TaN2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27500694
_cell_length_b   5.27500775
_cell_length_c   10.52581325
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999491
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hf2(TaN2)3
_chemical_formula_sum   'Hf4 Ta6 N12'
_cell_volume   253.64858947
_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  0.66666700  0.33333300  0.00000000  1.0
  Hf  Hf1  1  0.33333300  0.66666700  0.00000000  1.0
  Hf  Hf2  1  0.33333300  0.66666700  0.50000000  1.0
  Hf  Hf3  1  0.66666700  0.33333300  0.50000000  1.0
  Ta  Ta4  1  0.68175098  0.68175098  0.75000000  1.0
  Ta  Ta5  1  0.31824902  0.00000000  0.75000000  1.0
  Ta  Ta6  1  0.00000000  0.31824902  0.75000000  1.0
  Ta  Ta7  1  0.31824902  0.31824902  0.25000000  1.0
  Ta  Ta8  1  0.68175098  0.00000000  0.25000000  1.0
  Ta  Ta9  1  1.00000000  0.68175098  0.25000000  1.0
  N  N10  1  0.65354594  0.65354594  0.37389027  1.0
  N  N11  1  0.34645406  0.00000000  0.37389027  1.0
  N  N12  1  1.00000000  0.34645406  0.37389027  1.0
  N  N13  1  0.34645406  0.34645406  0.62610973  1.0
  N  N14  1  0.65354594  0.00000000  0.62610973  1.0
  N  N15  1  0.00000000  0.65354594  0.62610973  1.0
  N  N16  1  0.34645406  0.34645406  0.87389027  1.0
  N  N17  1  0.65354594  0.00000000  0.87389027  1.0
  N  N18  1  0.00000000  0.65354594  0.87389027  1.0
  N  N19  1  0.65354594  0.65354594  0.12610973  1.0
  N  N20  1  0.34645406  0.00000000  0.12610973  1.0
  N  N21  1  1.00000000  0.34645406  0.12610973  1.0