# generated using pymatgen
data_Zr3AlN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36863777
_cell_length_b   6.01648137
_cell_length_c   8.99376521
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   106.25727455
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3AlN
_chemical_formula_sum   'Zr6 Al2 N2'
_cell_volume   174.99117453
_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
  Zr  Zr0  1  0.04462114  0.08924128  0.75000000  1.0
  Zr  Zr1  1  0.95537886  0.91075872  0.25000000  1.0
  Zr  Zr2  1  0.37317249  0.74634699  0.54250488  1.0
  Zr  Zr3  1  0.62682751  0.25365301  0.45749512  1.0
  Zr  Zr4  1  0.62682751  0.25365301  0.04250488  1.0
  Zr  Zr5  1  0.37317249  0.74634699  0.95749512  1.0
  Al  Al6  1  0.25302262  0.50604525  0.25000000  1.0
  Al  Al7  1  0.74697738  0.49395475  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