# generated using pymatgen
data_Ba2Zn25Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61014434
_cell_length_b   8.61014426
_cell_length_c   8.61014471
_cell_angle_alpha   60.00000193
_cell_angle_beta   60.00000226
_cell_angle_gamma   59.99999693
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Zn25Ni
_chemical_formula_sum   'Ba2 Zn25 Ni1'
_cell_volume   451.35298242
_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
  Ba  Ba0  1  0.75000000  0.75000000  0.75000000  1.0
  Ba  Ba1  1  0.25000000  0.25000000  0.25000000  1.0
  Zn  Zn2  1  0.44375637  0.80091370  0.55624363  1.0
  Zn  Zn3  1  0.06195925  0.93804075  0.71006006  1.0
  Zn  Zn4  1  0.55624363  0.44375637  0.80091370  1.0
  Zn  Zn5  1  0.80091370  0.55624363  0.44375637  1.0
  Zn  Zn6  1  0.19908630  0.80091370  0.44375637  1.0
  Zn  Zn7  1  0.71006006  0.06195925  0.93804075  1.0
  Zn  Zn8  1  0.44375637  0.55624363  0.19908630  1.0
  Zn  Zn9  1  0.71006006  0.93804075  0.28993994  1.0
  Zn  Zn10  1  0.44375637  0.19908630  0.80091370  1.0
  Zn  Zn11  1  0.93804075  0.71006006  0.06195925  1.0
  Zn  Zn12  1  0.06195925  0.28993994  0.93804075  1.0
  Zn  Zn13  1  0.93804075  0.28993994  0.71006006  1.0
  Zn  Zn14  1  0.71006006  0.28993994  0.06195925  1.0
  Zn  Zn15  1  0.19908630  0.44375637  0.55624363  1.0
  Zn  Zn16  1  0.80091370  0.44375637  0.19908630  1.0
  Zn  Zn17  1  0.28993994  0.71006006  0.93804075  1.0
  Zn  Zn18  1  0.06195925  0.71006006  0.28993994  1.0
  Zn  Zn19  1  0.55624363  0.80091370  0.19908630  1.0
  Zn  Zn20  1  0.28993994  0.93804075  0.06195925  1.0
  Zn  Zn21  1  0.19908630  0.55624363  0.80091370  1.0
  Zn  Zn22  1  0.28993994  0.06195925  0.71006006  1.0
  Zn  Zn23  1  0.80091370  0.19908630  0.55624363  1.0
  Zn  Zn24  1  0.93804075  0.06195925  0.28993994  1.0
  Zn  Zn25  1  0.55624363  0.19908630  0.44375637  1.0
  Zn  Zn26  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni27  1  0.00000000  0.00000000  0.00000000  1.0