# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45119089
_cell_length_b   8.08198410
_cell_length_c   8.56679916
_cell_angle_alpha   75.35020571
_cell_angle_beta   68.02580832
_cell_angle_gamma   75.32519695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr8 Ni21'
_cell_volume   394.42592364
_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  0.43302300  0.96234800  0.75253200  1
  Zr  Zr1  1  0.56697700  0.03765200  0.24746800  1
  Zr  Zr2  1  0.75263400  0.44029000  0.39270400  1
  Zr  Zr3  1  0.24736600  0.55971000  0.60729600  1
  Zr  Zr4  1  0.75166000  0.56345600  0.96618500  1
  Zr  Zr5  1  0.24834000  0.43654400  0.03381500  1
  Zr  Zr6  1  0.93062000  0.09556200  0.68552500  1
  Zr  Zr7  1  0.06938000  0.90443800  0.31447500  1
  Ni  Ni8  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni9  1  0.09801500  0.75942400  0.84751400  1
  Ni  Ni10  1  0.90198500  0.24057600  0.15248600  1
  Ni  Ni11  1  0.28667900  0.88535700  0.52977800  1
  Ni  Ni12  1  0.71332100  0.11464300  0.47022200  1
  Ni  Ni13  1  0.51528100  0.61730800  0.75567300  1
  Ni  Ni14  1  0.48471900  0.38269200  0.24432700  1
  Ni  Ni15  1  0.51528000  0.29219500  0.72572400  1
  Ni  Ni16  1  0.09923600  0.27976300  0.84584000  1
  Ni  Ni17  1  0.90076400  0.72023700  0.15416000  1
  Ni  Ni18  1  0.11913400  0.55517700  0.34854600  1
  Ni  Ni19  1  0.88086600  0.44482300  0.65145400  1
  Ni  Ni20  1  0.13624600  0.21273300  0.34241400  1
  Ni  Ni21  1  0.86375400  0.78726700  0.65758600  1
  Ni  Ni22  1  0.30339100  0.24530500  0.54142200  1
  Ni  Ni23  1  0.69660900  0.75469500  0.45857800  1
  Ni  Ni24  1  0.31642900  0.09885200  0.03575600  1
  Ni  Ni25  1  0.68357100  0.90114800  0.96424400  1
  Ni  Ni26  1  0.31757100  0.74384000  0.04803700  1
  Ni  Ni27  1  0.68242900  0.25616000  0.95196300  1
  Ni  Ni28  1  0.48472000  0.70780500  0.27427600  1
