# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57203004
_cell_length_b   20.00613210
_cell_length_c   49.72297450
_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   'Zr48 Ni48'
_cell_volume   3553.32830803
_cell_formula_units_Z   48
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  0.502791  0.484678  0.338262  1
  Zr  Zr2  1  0.502791  0.967181  0.301716  1
  Zr  Zr3  1  1.002791  0.577477  0.293714  1
  Zr  Zr4  1  1.002791  0.093403  0.329976  1
  Zr  Zr5  1  1.002791  0.208042  0.283633  1
  Zr  Zr6  1  1.002791  0.726394  0.319726  1
  Zr  Zr7  1  0.502791  0.335462  0.310833  1
  Zr  Zr8  1  0.502791  0.816166  0.276778  1
  Zr  Zr9  1  0.502791  0.523093  0.415451  1
  Zr  Zr10  1  0.502791  0.004262  0.377275  1
  Zr  Zr11  1  1.002791  0.611969  0.368159  1
  Zr  Zr12  1  1.002791  0.131374  0.407068  1
  Zr  Zr13  1  1.002791  0.244802  0.357589  1
  Zr  Zr14  1  1.002791  0.763952  0.396427  1
  Zr  Zr15  1  0.502791  0.371699  0.387351  1
  Zr  Zr16  1  0.502791  0.852926  0.348776  1
  Zr  Zr17  1  0.502791  0.561138  0.492642  1
  Zr  Zr18  1  0.502791  0.042334  0.454295  1
  Zr  Zr19  1  1.002791  0.650099  0.445500  1
  Zr  Zr20  1  1.002791  0.169253  0.484102  1
  Zr  Zr21  1  1.002791  0.282900  0.434826  1
  Zr  Zr22  1  1.002791  0.801673  0.473511  1
  Zr  Zr23  1  0.502791  0.409697  0.464686  1
  Zr  Zr24  1  0.502791  0.890779  0.426453  1
  Zr  Zr25  1  0.502791  0.599106  0.569632  1
  Zr  Zr26  1  0.502791  0.080187  0.531398  1
  Zr  Zr27  1  1.002791  0.688211  0.522574  1
  Zr  Zr28  1  1.002791  0.206985  0.561259  1
  Zr  Zr29  1  1.002791  0.320631  0.511982  1
  Zr  Zr30  1  1.002791  0.839785  0.550584  1
  Zr  Zr31  1  0.502791  0.447551  0.541790  1
  Zr  Zr32  1  0.502791  0.928746  0.503443  1
  Zr  Zr33  1  0.502791  0.636959  0.647308  1
  Zr  Zr34  1  0.502791  0.118185  0.608733  1
  Zr  Zr35  1  1.002791  0.725932  0.599657  1
  Zr  Zr36  1  1.002791  0.245083  0.638495  1
  Zr  Zr37  1  1.002791  0.358510  0.589016  1
  Zr  Zr38  1  1.002791  0.877916  0.627925  1
  Zr  Zr39  1  0.502791  0.485623  0.618810  1
  Zr  Zr40  1  0.502791  0.966791  0.580633  1
  Zr  Zr41  1  0.502791  0.673719  0.719306  1
  Zr  Zr42  1  0.502791  0.154422  0.685251  1
  Zr  Zr43  1  1.002791  0.763491  0.676358  1
  Zr  Zr44  1  1.002791  0.281842  0.712451  1
  Zr  Zr45  1  1.002791  0.396481  0.666109  1
  Zr  Zr46  1  1.002791  0.912408  0.702371  1
  Zr  Zr47  1  0.502791  0.522703  0.694369  1
  Zr  Zr48  1  0.502791  0.005206  0.657823  1
  Ni  Ni49  1  0.502791  0.622037  0.327629  1
  Ni  Ni50  1  0.502791  0.102738  0.288132  1
  Ni  Ni51  1  1.002791  0.439188  0.300959  1
  Ni  Ni52  1  1.002791  0.958098  0.341170  1
  Ni  Ni53  1  1.002791  0.340281  0.270113  1
  Ni  Ni54  1  1.002791  0.865158  0.307997  1
  Ni  Ni55  1  0.502791  0.197425  0.321671  1
  Ni  Ni56  1  0.502791  0.678919  0.282265  1
  Ni  Ni57  1  0.502791  0.659247  0.404712  1
  Ni  Ni58  1  0.502791  0.140274  0.366360  1
  Ni  Ni59  1  1.002791  0.475867  0.379080  1
  Ni  Ni60  1  1.002791  0.995159  0.418034  1
  Ni  Ni61  1  1.002791  0.381437  0.346259  1
  Ni  Ni62  1  1.002791  0.899757  0.385687  1
  Ni  Ni63  1  0.502791  0.235708  0.398574  1
  Ni  Ni64  1  0.502791  0.716822  0.360459  1
  Ni  Ni65  1  0.502791  0.697292  0.481795  1
  Ni  Ni66  1  0.502791  0.178518  0.443274  1
  Ni  Ni67  1  1.002791  0.513991  0.456297  1
  Ni  Ni68  1  1.002791  0.033144  0.495108  1
  Ni  Ni69  1  1.002791  0.418842  0.423780  1
  Ni  Ni70  1  1.002791  0.937920  0.462673  1
  Ni  Ni71  1  0.502791  0.273624  0.475689  1
  Ni  Ni72  1  0.502791  0.754523  0.437161  1
  Ni  Ni73  1  0.502791  0.735362  0.558924  1
  Ni  Ni74  1  0.502791  0.216260  0.520396  1
  Ni  Ni75  1  1.002791  0.551964  0.533412  1
  Ni  Ni76  1  1.002791  0.071043  0.572304  1
  Ni  Ni77  1  1.002791  0.456740  0.500977  1
  Ni  Ni78  1  1.002791  0.975893  0.539787  1
  Ni  Ni79  1  0.502791  0.311366  0.552810  1
  Ni  Ni80  1  0.502791  0.792592  0.514290  1
  Ni  Ni81  1  0.502791  0.773063  0.635625  1
  Ni  Ni82  1  0.502791  0.254177  0.597510  1
  Ni  Ni83  1  1.002791  0.590127  0.610398  1
  Ni  Ni84  1  1.002791  0.108447  0.649826  1
  Ni  Ni85  1  1.002791  0.494726  0.578050  1
  Ni  Ni86  1  1.002791  0.014017  0.617004  1
  Ni  Ni87  1  0.502791  0.349610  0.629725  1
  Ni  Ni88  1  0.502791  0.830637  0.591373  1
  Ni  Ni89  1  0.502791  0.810965  0.713819  1
  Ni  Ni90  1  0.502791  0.292459  0.674413  1
  Ni  Ni91  1  1.002791  0.624726  0.688087  1
  Ni  Ni92  1  1.002791  0.149603  0.725971  1
  Ni  Ni93  1  1.002791  0.531786  0.654915  1
  Ni  Ni94  1  1.002791  0.050696  0.695125  1
  Ni  Ni95  1  0.502791  0.387147  0.707952  1
  Ni  Ni96  1  0.502791  0.867848  0.668456  1
