# generated using pymatgen
data_Zr2Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12401385
_cell_length_b   5.12401385
_cell_length_c   5.12401453
_cell_angle_alpha   61.92414907
_cell_angle_beta   61.92414907
_cell_angle_gamma   61.92414226
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Al3Ni
_chemical_formula_sum   'Zr2 Al3 Ni1'
_cell_volume   99.22614306
_cell_formula_units_Z   1
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  0.62641094  0.62641094  0.62641094  1.0
  Zr  Zr1  1  0.37358906  0.37358906  0.37358906  1.0
  Al  Al2  1  0.00000000  0.50000000  -0.00000000  1.0
  Al  Al3  1  0.50000000  0.00000000  -0.00000000  1.0
  Al  Al4  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni5  1  0.00000000  0.00000000  -0.00000000  1.0