# generated using pymatgen
data_Zn2Ni21B20
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.19361389
_cell_length_b   7.19361389
_cell_length_c   14.27038362
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2Ni21B20
_chemical_formula_sum   'Zn4 Ni42 B40'
_cell_volume   738.46496459
_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
  Zn  Zn0  1  0.50000000  0.50000000  0.30956400  1
  Zn  Zn1  1  0.00000000  0.00000000  0.19043600  1
  Zn  Zn2  1  0.00000000  0.00000000  0.80956400  1
  Zn  Zn3  1  0.50000000  0.50000000  0.69043600  1
  Ni  Ni4  1  0.79892500  0.50000000  0.39925100  1
  Ni  Ni5  1  0.20107500  0.50000000  0.39925100  1
  Ni  Ni6  1  0.50000000  0.79892500  0.39925100  1
  Ni  Ni7  1  0.50000000  0.20107500  0.39925100  1
  Ni  Ni8  1  0.70107500  0.00000000  0.10074900  1
  Ni  Ni9  1  0.29892500  0.00000000  0.10074900  1
  Ni  Ni10  1  0.00000000  0.70107500  0.10074900  1
  Ni  Ni11  1  0.00000000  0.29892500  0.10074900  1
  Ni  Ni12  1  0.50000000  0.23984700  0.00000000  1
  Ni  Ni13  1  0.50000000  0.76015300  0.00000000  1
  Ni  Ni14  1  0.76015300  0.50000000  0.00000000  1
  Ni  Ni15  1  0.23984700  0.50000000  0.00000000  1
  Ni  Ni16  1  0.75000000  0.75000000  0.25000000  1
  Ni  Ni17  1  0.25000000  0.25000000  0.25000000  1
  Ni  Ni18  1  0.25000000  0.75000000  0.25000000  1
  Ni  Ni19  1  0.75000000  0.25000000  0.25000000  1
  Ni  Ni20  1  0.00000000  0.50000000  0.25000000  1
  Ni  Ni21  1  0.50000000  0.00000000  0.25000000  1
  Ni  Ni22  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni23  1  0.50000000  0.50000000  0.13829600  1
  Ni  Ni24  1  0.00000000  0.00000000  0.36170400  1
  Ni  Ni25  1  0.29892500  0.00000000  0.89925100  1
  Ni  Ni26  1  0.70107500  0.00000000  0.89925100  1
  Ni  Ni27  1  0.00000000  0.29892500  0.89925100  1
  Ni  Ni28  1  0.00000000  0.70107500  0.89925100  1
  Ni  Ni29  1  0.20107500  0.50000000  0.60074900  1
  Ni  Ni30  1  0.79892500  0.50000000  0.60074900  1
  Ni  Ni31  1  0.50000000  0.20107500  0.60074900  1
  Ni  Ni32  1  0.50000000  0.79892500  0.60074900  1
  Ni  Ni33  1  0.00000000  0.73984700  0.50000000  1
  Ni  Ni34  1  0.00000000  0.26015300  0.50000000  1
  Ni  Ni35  1  0.26015300  0.00000000  0.50000000  1
  Ni  Ni36  1  0.73984700  0.00000000  0.50000000  1
  Ni  Ni37  1  0.25000000  0.25000000  0.75000000  1
  Ni  Ni38  1  0.75000000  0.75000000  0.75000000  1
  Ni  Ni39  1  0.75000000  0.25000000  0.75000000  1
  Ni  Ni40  1  0.25000000  0.75000000  0.75000000  1
  Ni  Ni41  1  0.50000000  0.00000000  0.75000000  1
  Ni  Ni42  1  0.00000000  0.50000000  0.75000000  1
  Ni  Ni43  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni44  1  0.00000000  0.00000000  0.63829600  1
  Ni  Ni45  1  0.50000000  0.50000000  0.86170400  1
  B  B46  1  0.79911300  0.50000000  0.15388200  1
  B  B47  1  0.20088700  0.50000000  0.15388200  1
  B  B48  1  0.50000000  0.79911300  0.15388200  1
  B  B49  1  0.50000000  0.20088700  0.15388200  1
  B  B50  1  0.70088700  0.00000000  0.34611800  1
  B  B51  1  0.29911300  0.00000000  0.34611800  1
  B  B52  1  0.00000000  0.70088700  0.34611800  1
  B  B53  1  0.00000000  0.29911300  0.34611800  1
  B  B54  1  0.79432500  0.79432500  0.39411500  1
  B  B55  1  0.20567500  0.20567500  0.39411500  1
  B  B56  1  0.20567500  0.79432500  0.39411500  1
  B  B57  1  0.79432500  0.20567500  0.39411500  1
  B  B58  1  0.70567500  0.70567500  0.10588500  1
  B  B59  1  0.29432500  0.29432500  0.10588500  1
  B  B60  1  0.29432500  0.70567500  0.10588500  1
  B  B61  1  0.70567500  0.29432500  0.10588500  1
  B  B62  1  0.20281900  0.20281900  0.00000000  1
  B  B63  1  0.79718100  0.79718100  0.00000000  1
  B  B64  1  0.79718100  0.20281900  0.00000000  1
  B  B65  1  0.20281900  0.79718100  0.00000000  1
  B  B66  1  0.29911300  0.00000000  0.65388200  1
  B  B67  1  0.70088700  0.00000000  0.65388200  1
  B  B68  1  0.00000000  0.29911300  0.65388200  1
  B  B69  1  0.00000000  0.70088700  0.65388200  1
  B  B70  1  0.20088700  0.50000000  0.84611800  1
  B  B71  1  0.79911300  0.50000000  0.84611800  1
  B  B72  1  0.50000000  0.20088700  0.84611800  1
  B  B73  1  0.50000000  0.79911300  0.84611800  1
  B  B74  1  0.29432500  0.29432500  0.89411500  1
  B  B75  1  0.70567500  0.70567500  0.89411500  1
  B  B76  1  0.70567500  0.29432500  0.89411500  1
  B  B77  1  0.29432500  0.70567500  0.89411500  1
  B  B78  1  0.20567500  0.20567500  0.60588500  1
  B  B79  1  0.79432500  0.79432500  0.60588500  1
  B  B80  1  0.79432500  0.20567500  0.60588500  1
  B  B81  1  0.20567500  0.79432500  0.60588500  1
  B  B82  1  0.70281900  0.70281900  0.50000000  1
  B  B83  1  0.29718100  0.29718100  0.50000000  1
  B  B84  1  0.29718100  0.70281900  0.50000000  1
  B  B85  1  0.70281900  0.29718100  0.50000000  1
