# generated using pymatgen
data_Zr4AlNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.22877128
_cell_length_b   13.22877128
_cell_length_c   13.22877128
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4AlNi2
_chemical_formula_sum   'Zr64 Al16 Ni32'
_cell_volume   2315.04012765
_cell_formula_units_Z   16
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  0.50000000  0.23172300  0.00000000  1
  Zr  Zr1  1  0.12500000  0.12500000  0.12500000  1
  Zr  Zr2  1  0.75000000  0.25000000  0.48172300  1
  Zr  Zr3  1  0.50000000  0.00000000  0.76827700  1
  Zr  Zr4  1  0.51827700  0.25000000  0.25000000  1
  Zr  Zr5  1  0.73172300  0.00000000  0.00000000  1
  Zr  Zr6  1  0.75000000  0.01827700  0.25000000  1
  Zr  Zr7  1  0.26827700  0.00000000  0.00000000  1
  Zr  Zr8  1  0.50000000  0.00000000  0.23172300  1
  Zr  Zr9  1  0.75000000  0.48172300  0.25000000  1
  Zr  Zr10  1  0.75000000  0.25000000  0.01827700  1
  Zr  Zr11  1  0.12500000  0.37500000  0.37500000  1
  Zr  Zr12  1  0.37500000  0.12500000  0.37500000  1
  Zr  Zr13  1  0.37500000  0.37500000  0.12500000  1
  Zr  Zr14  1  0.50000000  0.76827700  0.00000000  1
  Zr  Zr15  1  0.98172300  0.25000000  0.25000000  1
  Zr  Zr16  1  0.50000000  0.73172300  0.50000000  1
  Zr  Zr17  1  0.12500000  0.62500000  0.62500000  1
  Zr  Zr18  1  0.75000000  0.75000000  0.98172300  1
  Zr  Zr19  1  0.50000000  0.50000000  0.26827700  1
  Zr  Zr20  1  0.51827700  0.75000000  0.75000000  1
  Zr  Zr21  1  0.73172300  0.50000000  0.50000000  1
  Zr  Zr22  1  0.75000000  0.51827700  0.75000000  1
  Zr  Zr23  1  0.26827700  0.50000000  0.50000000  1
  Zr  Zr24  1  0.50000000  0.50000000  0.73172300  1
  Zr  Zr25  1  0.75000000  0.98172300  0.75000000  1
  Zr  Zr26  1  0.75000000  0.75000000  0.51827700  1
  Zr  Zr27  1  0.12500000  0.87500000  0.87500000  1
  Zr  Zr28  1  0.37500000  0.62500000  0.87500000  1
  Zr  Zr29  1  0.37500000  0.87500000  0.62500000  1
  Zr  Zr30  1  0.50000000  0.26827700  0.50000000  1
  Zr  Zr31  1  0.98172300  0.75000000  0.75000000  1
  Zr  Zr32  1  0.00000000  0.23172300  0.50000000  1
  Zr  Zr33  1  0.62500000  0.12500000  0.62500000  1
  Zr  Zr34  1  0.25000000  0.25000000  0.98172300  1
  Zr  Zr35  1  0.00000000  0.00000000  0.26827700  1
  Zr  Zr36  1  0.01827700  0.25000000  0.75000000  1
  Zr  Zr37  1  0.23172300  0.00000000  0.50000000  1
  Zr  Zr38  1  0.25000000  0.01827700  0.75000000  1
  Zr  Zr39  1  0.76827700  0.00000000  0.50000000  1
  Zr  Zr40  1  0.00000000  0.00000000  0.73172300  1
  Zr  Zr41  1  0.25000000  0.48172300  0.75000000  1
  Zr  Zr42  1  0.25000000  0.25000000  0.51827700  1
  Zr  Zr43  1  0.62500000  0.37500000  0.87500000  1
  Zr  Zr44  1  0.87500000  0.12500000  0.87500000  1
  Zr  Zr45  1  0.87500000  0.37500000  0.62500000  1
  Zr  Zr46  1  0.00000000  0.76827700  0.50000000  1
  Zr  Zr47  1  0.48172300  0.25000000  0.75000000  1
  Zr  Zr48  1  0.00000000  0.73172300  0.00000000  1
  Zr  Zr49  1  0.62500000  0.62500000  0.12500000  1
  Zr  Zr50  1  0.25000000  0.75000000  0.48172300  1
  Zr  Zr51  1  0.00000000  0.50000000  0.76827700  1
  Zr  Zr52  1  0.01827700  0.75000000  0.25000000  1
  Zr  Zr53  1  0.23172300  0.50000000  0.00000000  1
  Zr  Zr54  1  0.25000000  0.51827700  0.25000000  1
  Zr  Zr55  1  0.76827700  0.50000000  0.00000000  1
  Zr  Zr56  1  0.00000000  0.50000000  0.23172300  1
  Zr  Zr57  1  0.25000000  0.98172300  0.25000000  1
  Zr  Zr58  1  0.25000000  0.75000000  0.01827700  1
  Zr  Zr59  1  0.62500000  0.87500000  0.37500000  1
  Zr  Zr60  1  0.87500000  0.62500000  0.37500000  1
  Zr  Zr61  1  0.87500000  0.87500000  0.12500000  1
  Zr  Zr62  1  0.00000000  0.26827700  0.00000000  1
  Zr  Zr63  1  0.48172300  0.75000000  0.25000000  1
  Al  Al64  1  0.62500000  0.37500000  0.37500000  1
  Al  Al65  1  0.87500000  0.37500000  0.12500000  1
  Al  Al66  1  0.37500000  0.12500000  0.87500000  1
  Al  Al67  1  0.62500000  0.12500000  0.12500000  1
  Al  Al68  1  0.62500000  0.87500000  0.87500000  1
  Al  Al69  1  0.87500000  0.87500000  0.62500000  1
  Al  Al70  1  0.37500000  0.62500000  0.37500000  1
  Al  Al71  1  0.62500000  0.62500000  0.62500000  1
  Al  Al72  1  0.12500000  0.37500000  0.87500000  1
  Al  Al73  1  0.37500000  0.37500000  0.62500000  1
  Al  Al74  1  0.87500000  0.12500000  0.37500000  1
  Al  Al75  1  0.12500000  0.12500000  0.62500000  1
  Al  Al76  1  0.12500000  0.87500000  0.37500000  1
  Al  Al77  1  0.37500000  0.87500000  0.12500000  1
  Al  Al78  1  0.87500000  0.62500000  0.87500000  1
  Al  Al79  1  0.12500000  0.62500000  0.12500000  1
  Ni  Ni80  1  0.92770700  0.07229300  0.07229300  1
  Ni  Ni81  1  0.67770700  0.82229300  0.17770700  1
  Ni  Ni82  1  0.92770700  0.42770700  0.42770700  1
  Ni  Ni83  1  0.67770700  0.17770700  0.82229300  1
  Ni  Ni84  1  0.57229300  0.07229300  0.42770700  1
  Ni  Ni85  1  0.32229300  0.82229300  0.82229300  1
  Ni  Ni86  1  0.57229300  0.42770700  0.07229300  1
  Ni  Ni87  1  0.32229300  0.17770700  0.17770700  1
  Ni  Ni88  1  0.92770700  0.57229300  0.57229300  1
  Ni  Ni89  1  0.67770700  0.32229300  0.67770700  1
  Ni  Ni90  1  0.92770700  0.92770700  0.92770700  1
  Ni  Ni91  1  0.67770700  0.67770700  0.32229300  1
  Ni  Ni92  1  0.57229300  0.57229300  0.92770700  1
  Ni  Ni93  1  0.32229300  0.32229300  0.32229300  1
  Ni  Ni94  1  0.57229300  0.92770700  0.57229300  1
  Ni  Ni95  1  0.32229300  0.67770700  0.67770700  1
  Ni  Ni96  1  0.42770700  0.07229300  0.57229300  1
  Ni  Ni97  1  0.17770700  0.82229300  0.67770700  1
  Ni  Ni98  1  0.42770700  0.42770700  0.92770700  1
  Ni  Ni99  1  0.17770700  0.17770700  0.32229300  1
  Ni  Ni100  1  0.07229300  0.07229300  0.92770700  1
  Ni  Ni101  1  0.82229300  0.82229300  0.32229300  1
  Ni  Ni102  1  0.07229300  0.42770700  0.57229300  1
  Ni  Ni103  1  0.82229300  0.17770700  0.67770700  1
  Ni  Ni104  1  0.42770700  0.57229300  0.07229300  1
  Ni  Ni105  1  0.17770700  0.32229300  0.17770700  1
  Ni  Ni106  1  0.42770700  0.92770700  0.42770700  1
  Ni  Ni107  1  0.17770700  0.67770700  0.82229300  1
  Ni  Ni108  1  0.07229300  0.57229300  0.42770700  1
  Ni  Ni109  1  0.82229300  0.32229300  0.82229300  1
  Ni  Ni110  1  0.07229300  0.92770700  0.07229300  1
  Ni  Ni111  1  0.82229300  0.67770700  0.17770700  1
