# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98585000
_cell_length_b   9.89059693
_cell_length_c   54.54974337
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr40 Ni80'
_cell_volume   3769.07232949
_cell_formula_units_Z   40
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  0.492781  0.917394  0.288453  1
  Zr  Zr2  1  0.759800  0.667394  0.288453  1
  Zr  Zr3  1  0.002256  0.167394  0.332713  1
  Zr  Zr4  1  0.250326  0.917394  0.332713  1
  Zr  Zr5  1  0.002256  0.667394  0.332713  1
  Zr  Zr6  1  0.250326  0.417394  0.332713  1
  Zr  Zr7  1  0.492781  0.417394  0.288453  1
  Zr  Zr8  1  0.759800  0.167394  0.288453  1
  Zr  Zr9  1  0.501234  0.417394  0.378159  1
  Zr  Zr10  1  0.751348  0.167394  0.378159  1
  Zr  Zr11  1  0.001296  0.667394  0.423460  1
  Zr  Zr12  1  0.251285  0.417394  0.423460  1
  Zr  Zr13  1  0.001296  0.167394  0.423460  1
  Zr  Zr14  1  0.251285  0.917394  0.423460  1
  Zr  Zr15  1  0.501234  0.917394  0.378159  1
  Zr  Zr16  1  0.751348  0.667394  0.378159  1
  Zr  Zr17  1  0.501070  0.917394  0.469001  1
  Zr  Zr18  1  0.751511  0.667394  0.469001  1
  Zr  Zr19  1  1.001083  0.167394  0.514498  1
  Zr  Zr20  1  0.251498  0.917394  0.514498  1
  Zr  Zr21  1  1.001083  0.667394  0.514498  1
  Zr  Zr22  1  0.251498  0.417394  0.514498  1
  Zr  Zr23  1  0.501070  0.417394  0.469001  1
  Zr  Zr24  1  0.751511  0.167394  0.469001  1
  Zr  Zr25  1  0.501242  0.417394  0.560024  1
  Zr  Zr26  1  0.751339  0.167394  0.560024  1
  Zr  Zr27  1  0.001323  0.667394  0.605411  1
  Zr  Zr28  1  0.251258  0.417394  0.605411  1
  Zr  Zr29  1  0.001323  0.167394  0.605411  1
  Zr  Zr30  1  0.251258  0.917394  0.605411  1
  Zr  Zr31  1  0.501242  0.917394  0.560024  1
  Zr  Zr32  1  0.751339  0.667394  0.560024  1
  Zr  Zr33  1  0.501493  0.917394  0.650765  1
  Zr  Zr34  1  0.751088  0.667394  0.650765  1
  Zr  Zr35  1  0.993878  0.167394  0.696461  1
  Zr  Zr36  1  0.258703  0.917394  0.696461  1
  Zr  Zr37  1  0.993878  0.667394  0.696461  1
  Zr  Zr38  1  0.258703  0.417394  0.696461  1
  Zr  Zr39  1  0.501493  0.417394  0.650765  1
  Zr  Zr40  1  0.751088  0.167394  0.650765  1
  Ni  Ni41  1  0.126291  0.042394  0.287656  1
  Ni  Ni42  1  0.126291  0.792394  0.287656  1
  Ni  Ni43  1  0.875269  0.417394  0.355128  1
  Ni  Ni44  1  0.872537  0.917394  0.308711  1
  Ni  Ni45  1  0.626291  0.292394  0.332212  1
  Ni  Ni46  1  0.626291  0.042394  0.332212  1
  Ni  Ni47  1  0.380044  0.167394  0.308711  1
  Ni  Ni48  1  0.377312  0.167394  0.355128  1
  Ni  Ni49  1  0.626291  0.792394  0.332212  1
  Ni  Ni50  1  0.626291  0.542394  0.332212  1
  Ni  Ni51  1  0.380044  0.667394  0.308711  1
  Ni  Ni52  1  0.377312  0.667394  0.355128  1
  Ni  Ni53  1  0.126291  0.542394  0.287656  1
  Ni  Ni54  1  0.126291  0.292394  0.287656  1
  Ni  Ni55  1  0.875269  0.917394  0.355128  1
  Ni  Ni56  1  0.872537  0.417394  0.308711  1
  Ni  Ni57  1  0.126291  0.542394  0.378148  1
  Ni  Ni58  1  0.126291  0.292394  0.378148  1
  Ni  Ni59  1  0.876311  0.917394  0.446303  1
  Ni  Ni60  1  0.876317  0.417394  0.400846  1
  Ni  Ni61  1  0.626291  0.792394  0.423566  1
  Ni  Ni62  1  0.626291  0.542394  0.423566  1
  Ni  Ni63  1  0.376264  0.667394  0.400846  1
  Ni  Ni64  1  0.376270  0.667394  0.446303  1
  Ni  Ni65  1  0.626291  0.292394  0.423566  1
  Ni  Ni66  1  0.626291  0.042394  0.423566  1
  Ni  Ni67  1  0.376264  0.167394  0.400846  1
  Ni  Ni68  1  0.376270  0.167394  0.446303  1
  Ni  Ni69  1  0.126291  0.042394  0.378148  1
  Ni  Ni70  1  0.126291  0.792394  0.378148  1
  Ni  Ni71  1  0.876311  0.417394  0.446303  1
  Ni  Ni72  1  0.876317  0.917394  0.400846  1
  Ni  Ni73  1  0.126291  0.042394  0.469024  1
  Ni  Ni74  1  0.126291  0.792394  0.469024  1
  Ni  Ni75  1  0.876266  0.417394  0.537215  1
  Ni  Ni76  1  0.876298  0.917394  0.491760  1
  Ni  Ni77  1  0.626291  0.292394  0.514488  1
  Ni  Ni78  1  0.626291  0.042394  0.514488  1
  Ni  Ni79  1  0.376283  0.167394  0.491760  1
  Ni  Ni80  1  0.376315  0.167394  0.537215  1
  Ni  Ni81  1  0.626291  0.792394  0.514488  1
  Ni  Ni82  1  0.626291  0.542394  0.514488  1
  Ni  Ni83  1  0.376283  0.667394  0.491760  1
  Ni  Ni84  1  0.376315  0.667394  0.537215  1
  Ni  Ni85  1  0.126291  0.542394  0.469024  1
  Ni  Ni86  1  0.126291  0.292394  0.469024  1
  Ni  Ni87  1  0.876266  0.917394  0.537215  1
  Ni  Ni88  1  0.876298  0.417394  0.491760  1
  Ni  Ni89  1  0.126291  0.542394  0.559943  1
  Ni  Ni90  1  0.126291  0.292394  0.559943  1
  Ni  Ni91  1  0.877928  0.917394  0.628113  1
  Ni  Ni92  1  0.876334  0.417394  0.582699  1
  Ni  Ni93  1  0.626291  0.792394  0.605471  1
  Ni  Ni94  1  0.626291  0.542394  0.605471  1
  Ni  Ni95  1  0.376247  0.667394  0.582699  1
  Ni  Ni96  1  0.374653  0.667394  0.628113  1
  Ni  Ni97  1  0.626291  0.292394  0.605471  1
  Ni  Ni98  1  0.626291  0.042394  0.605471  1
  Ni  Ni99  1  0.376247  0.167394  0.582699  1
  Ni  Ni100  1  0.374653  0.167394  0.628113  1
  Ni  Ni101  1  0.126291  0.042394  0.559943  1
  Ni  Ni102  1  0.126291  0.792394  0.559943  1
  Ni  Ni103  1  0.877928  0.417394  0.628113  1
  Ni  Ni104  1  0.876334  0.917394  0.582699  1
  Ni  Ni105  1  0.126291  0.042394  0.651331  1
  Ni  Ni106  1  0.126291  0.792394  0.651331  1
  Ni  Ni107  1  0.893802  0.417394  0.718330  1
  Ni  Ni108  1  0.877292  0.917394  0.673965  1
  Ni  Ni109  1  0.626291  0.292394  0.696258  1
  Ni  Ni110  1  0.626291  0.042394  0.696258  1
  Ni  Ni111  1  0.375289  0.167394  0.673965  1
  Ni  Ni112  1  0.358779  0.167394  0.718330  1
  Ni  Ni113  1  0.626291  0.792394  0.696258  1
  Ni  Ni114  1  0.626291  0.542394  0.696258  1
  Ni  Ni115  1  0.375289  0.667394  0.673965  1
  Ni  Ni116  1  0.358779  0.667394  0.718330  1
  Ni  Ni117  1  0.126291  0.542394  0.651331  1
  Ni  Ni118  1  0.126291  0.292394  0.651331  1
  Ni  Ni119  1  0.893802  0.917394  0.718330  1
  Ni  Ni120  1  0.877292  0.417394  0.673965  1
