# generated using pymatgen
data_Zn2Ni21B20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.76270541
_cell_length_b   8.76270541
_cell_length_c   8.76270541
_cell_angle_alpha   131.53157093
_cell_angle_beta   131.53157093
_cell_angle_gamma   70.96987350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Ni21B20
_chemical_formula_sum   'Zn2 Ni21 B20'
_cell_volume   369.23250342
_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
  Zn  Zn0  1  0.80956400  0.80956400  0.00000000  1.0
  Zn  Zn1  1  0.19043600  0.19043600  0.00000000  1.0
  Ni  Ni2  1  0.89925100  0.19817600  0.29892500  1.0
  Ni  Ni3  1  0.89925100  0.60032600  0.70107500  1.0
  Ni  Ni4  1  0.19817600  0.89925100  0.29892500  1.0
  Ni  Ni5  1  0.60032600  0.89925100  0.70107500  1.0
  Ni  Ni6  1  0.10074900  0.80182400  0.70107500  1.0
  Ni  Ni7  1  0.10074900  0.39967400  0.29892500  1.0
  Ni  Ni8  1  0.80182400  0.10074900  0.70107500  1.0
  Ni  Ni9  1  0.39967400  0.10074900  0.29892500  1.0
  Ni  Ni10  1  0.23984700  0.50000000  0.73984700  1.0
  Ni  Ni11  1  0.76015300  0.50000000  0.26015300  1.0
  Ni  Ni12  1  0.50000000  0.76015300  0.26015300  1.0
  Ni  Ni13  1  0.50000000  0.23984700  0.73984700  1.0
  Ni  Ni14  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni15  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni16  1  0.00000000  0.50000000  0.00000000  1.0
  Ni  Ni17  1  0.50000000  0.00000000  0.00000000  1.0
  Ni  Ni18  1  0.75000000  0.25000000  0.50000000  1.0
  Ni  Ni19  1  0.25000000  0.75000000  0.50000000  1.0
  Ni  Ni20  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni21  1  0.63829600  0.63829600  0.00000000  1.0
  Ni  Ni22  1  0.36170400  0.36170400  0.00000000  1.0
  B  B23  1  0.65388200  0.95299600  0.29911300  1.0
  B  B24  1  0.65388200  0.35476900  0.70088700  1.0
  B  B25  1  0.95299600  0.65388200  0.29911300  1.0
  B  B26  1  0.35476900  0.65388200  0.70088700  1.0
  B  B27  1  0.34611800  0.04700400  0.70088700  1.0
  B  B28  1  0.34611800  0.64523100  0.29911300  1.0
  B  B29  1  0.04700400  0.34611800  0.70088700  1.0
  B  B30  1  0.64523100  0.34611800  0.29911300  1.0
  B  B31  1  0.18844000  0.18844000  0.58865000  1.0
  B  B32  1  0.59979000  0.59979000  0.41135000  1.0
  B  B33  1  0.18844000  0.59979000  0.00000000  1.0
  B  B34  1  0.59979000  0.18844000  0.00000000  1.0
  B  B35  1  0.81156000  0.81156000  0.41135000  1.0
  B  B36  1  0.40021000  0.40021000  0.58865000  1.0
  B  B37  1  0.81156000  0.40021000  0.00000000  1.0
  B  B38  1  0.40021000  0.81156000  0.00000000  1.0
  B  B39  1  0.20281900  0.20281900  0.40563800  1.0
  B  B40  1  0.79718100  0.79718100  0.59436200  1.0
  B  B41  1  0.20281900  0.79718100  0.00000000  1.0
  B  B42  1  0.79718100  0.20281900  0.00000000  1.0