# generated using pymatgen
data_Zr3Al2PdN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.60783084
_cell_length_b   8.60783168
_cell_length_c   8.60783058
_cell_angle_alpha   59.99999665
_cell_angle_beta   59.99999341
_cell_angle_gamma   59.99999666
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Al2PdN
_chemical_formula_sum   'Zr12 Al8 Pd4 N4'
_cell_volume   450.98921800
_cell_formula_units_Z   4
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  0.81243723  0.18756277  0.18756277  1.0
  Zr  Zr1  1  0.18756277  0.81243723  0.18756277  1.0
  Zr  Zr2  1  0.81243723  0.81243723  0.18756277  1.0
  Zr  Zr3  1  0.18756277  0.81243723  0.81243723  1.0
  Zr  Zr4  1  0.81243723  0.18756277  0.81243723  1.0
  Zr  Zr5  1  0.18756277  0.18756277  0.81243723  1.0
  Zr  Zr6  1  0.43756277  0.06243723  0.06243723  1.0
  Zr  Zr7  1  0.06243723  0.43756277  0.06243723  1.0
  Zr  Zr8  1  0.43756277  0.43756277  0.06243723  1.0
  Zr  Zr9  1  0.06243723  0.43756277  0.43756277  1.0
  Zr  Zr10  1  0.43756277  0.06243723  0.43756277  1.0
  Zr  Zr11  1  0.06243723  0.06243723  0.43756277  1.0
  Al  Al12  1  0.41968991  0.41968991  0.74093028  1.0
  Al  Al13  1  0.41968991  0.41968991  0.41968991  1.0
  Al  Al14  1  0.74093028  0.41968991  0.41968991  1.0
  Al  Al15  1  0.41968991  0.74093028  0.41968991  1.0
  Al  Al16  1  0.83031009  0.83031009  0.50906972  1.0
  Al  Al17  1  0.83031009  0.83031009  0.83031009  1.0
  Al  Al18  1  0.50906972  0.83031009  0.83031009  1.0
  Al  Al19  1  0.83031009  0.50906972  0.83031009  1.0
  Pd  Pd20  1  0.62500000  0.62500000  0.12500000  1.0
  Pd  Pd21  1  0.62500000  0.62500000  0.62500000  1.0
  Pd  Pd22  1  0.12500000  0.62500000  0.62500000  1.0
  Pd  Pd23  1  0.62500000  0.12500000  0.62500000  1.0
  N  N24  1  0.12500000  0.12500000  0.62500000  1.0
  N  N25  1  0.12500000  0.12500000  0.12500000  1.0
  N  N26  1  0.62500000  0.12500000  0.12500000  1.0
  N  N27  1  0.12500000  0.62500000  0.12500000  1.0