# generated using pymatgen
data_ZrAl5Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.02103180
_cell_length_b   4.02103180
_cell_length_c   14.58220642
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAl5Ni2
_chemical_formula_sum   'Zr2 Al10 Ni4'
_cell_volume   235.77527336
_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  0.00000000  0.00000000  0.00000000  1
  Zr  Zr1  1  0.50000000  0.50000000  0.50000000  1
  Al  Al2  1  0.50000000  0.50000000  0.00000000  1
  Al  Al3  1  0.00000000  0.50000000  0.64757600  1
  Al  Al4  1  0.50000000  0.00000000  0.64757600  1
  Al  Al5  1  0.50000000  0.00000000  0.85242400  1
  Al  Al6  1  0.00000000  0.50000000  0.85242400  1
  Al  Al7  1  0.00000000  0.00000000  0.50000000  1
  Al  Al8  1  0.50000000  0.00000000  0.14757600  1
  Al  Al9  1  0.00000000  0.50000000  0.14757600  1
  Al  Al10  1  0.00000000  0.50000000  0.35242400  1
  Al  Al11  1  0.50000000  0.00000000  0.35242400  1
  Ni  Ni12  1  0.50000000  0.50000000  0.73959700  1
  Ni  Ni13  1  0.00000000  0.00000000  0.76040300  1
  Ni  Ni14  1  0.00000000  0.00000000  0.23959700  1
  Ni  Ni15  1  0.50000000  0.50000000  0.26040300  1
