# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57652302
_cell_length_b   12.50370172
_cell_length_c   48.73102917
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr28 Ni28'
_cell_volume   2179.24075714
_cell_formula_units_Z   28
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  Zr1  1  0.502160  0.690696  0.342278  1
  Zr  Zr2  1  1.002160  0.742963  0.287435  1
  Zr  Zr3  1  1.002160  0.190696  0.342278  1
  Zr  Zr4  1  0.502160  0.242963  0.287435  1
  Zr  Zr5  1  0.502160  0.882044  0.404279  1
  Zr  Zr6  1  1.002160  0.923483  0.344004  1
  Zr  Zr7  1  1.002160  0.382044  0.404279  1
  Zr  Zr8  1  0.502160  0.423483  0.344004  1
  Zr  Zr9  1  0.502160  0.074727  0.467292  1
  Zr  Zr10  1  1.002160  0.115912  0.407755  1
  Zr  Zr11  1  1.002160  0.574727  0.467292  1
  Zr  Zr12  1  0.502160  0.615912  0.407755  1
  Zr  Zr13  1  0.502160  0.267530  0.530053  1
  Zr  Zr14  1  1.002160  0.309007  0.470438  1
  Zr  Zr15  1  1.002160  0.767530  0.530053  1
  Zr  Zr16  1  0.502160  0.809007  0.470438  1
  Zr  Zr17  1  0.502160  0.460625  0.592737  1
  Zr  Zr18  1  1.002160  0.501809  0.533200  1
  Zr  Zr19  1  1.002160  0.960625  0.592737  1
  Zr  Zr20  1  0.502160  0.001809  0.533200  1
  Zr  Zr21  1  0.502160  0.653054  0.656487  1
  Zr  Zr22  1  1.002160  0.694492  0.596212  1
  Zr  Zr23  1  1.002160  0.153054  0.656487  1
  Zr  Zr24  1  0.502160  0.194492  0.596212  1
  Zr  Zr25  1  0.502160  0.833574  0.713057  1
  Zr  Zr26  1  1.002160  0.885841  0.658213  1
  Zr  Zr27  1  1.002160  0.333574  0.713057  1
  Zr  Zr28  1  0.502160  0.385841  0.658213  1
  Ni  Ni29  1  0.502160  0.867164  0.306261  1
  Ni  Ni30  1  1.002160  0.559818  0.317097  1
  Ni  Ni31  1  1.002160  0.367164  0.306261  1
  Ni  Ni32  1  0.502160  0.059818  0.317097  1
  Ni  Ni33  1  0.502160  0.054852  0.368776  1
  Ni  Ni34  1  1.002160  0.749571  0.380709  1
  Ni  Ni35  1  1.002160  0.554852  0.368776  1
  Ni  Ni36  1  0.502160  0.249571  0.380709  1
  Ni  Ni37  1  0.502160  0.248611  0.431695  1
  Ni  Ni38  1  1.002160  0.942299  0.443161  1
  Ni  Ni39  1  1.002160  0.748611  0.431695  1
  Ni  Ni40  1  0.502160  0.442299  0.443161  1
  Ni  Ni41  1  0.502160  0.441249  0.494480  1
  Ni  Ni42  1  1.002160  0.135287  0.506012  1
  Ni  Ni43  1  1.002160  0.941249  0.494480  1
  Ni  Ni44  1  0.502160  0.635287  0.506012  1
  Ni  Ni45  1  0.502160  0.634238  0.557330  1
  Ni  Ni46  1  1.002160  0.327926  0.568796  1
  Ni  Ni47  1  1.002160  0.134238  0.557330  1
  Ni  Ni48  1  0.502160  0.827926  0.568796  1
  Ni  Ni49  1  0.502160  0.826966  0.619782  1
  Ni  Ni50  1  1.002160  0.521684  0.631715  1
  Ni  Ni51  1  1.002160  0.326966  0.619782  1
  Ni  Ni52  1  0.502160  0.021684  0.631715  1
  Ni  Ni53  1  0.502160  0.016719  0.683395  1
  Ni  Ni54  1  1.002160  0.709373  0.694231  1
  Ni  Ni55  1  1.002160  0.516719  0.683395  1
  Ni  Ni56  1  0.502160  0.209373  0.694231  1
