# generated using pymatgen
data_HfZr2SiN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.83596095
_cell_length_b   5.83596100
_cell_length_c   8.50849233
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   145.69993447
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfZr2SiN
_chemical_formula_sum   'Hf2 Zr4 Si2 N2'
_cell_volume   163.30222218
_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  0.94195828  0.05804172  0.25000000  1.0
  Hf  Hf1  1  0.05804172  0.94195828  0.75000000  1.0
  Zr  Zr2  1  0.63203455  0.36796545  0.44553563  1.0
  Zr  Zr3  1  0.36796545  0.63203455  0.55446437  1.0
  Zr  Zr4  1  0.63203455  0.36796545  0.05446437  1.0
  Zr  Zr5  1  0.36796545  0.63203455  0.94553563  1.0
  Si  Si6  1  0.25680250  0.74319750  0.25000000  1.0
  Si  Si7  1  0.74319750  0.25680250  0.75000000  1.0
  N  N8  1  0.00000000  0.00000000  0.50000000  1.0
  N  N9  1  0.00000000  0.00000000  0.00000000  1.0