# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29459662
_cell_length_b   18.94178595
_cell_length_c   49.73418622
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr36 Ni108'
_cell_volume   4045.74325874
_cell_formula_units_Z   36
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  0.752425  0.715553  0.334598  1
  Zr  Zr2  1  0.752425  0.445896  0.308242  1
  Zr  Zr3  1  0.752425  0.170963  0.283537  1
  Zr  Zr4  1  0.252425  0.753192  0.274709  1
  Zr  Zr5  1  0.252425  0.290138  0.326002  1
  Zr  Zr6  1  0.252425  0.025593  0.298846  1
  Zr  Zr7  1  0.752425  0.521404  0.411653  1
  Zr  Zr8  1  0.752425  0.252336  0.386462  1
  Zr  Zr9  1  0.752425  0.982998  0.360860  1
  Zr  Zr10  1  0.252425  0.560854  0.352114  1
  Zr  Zr11  1  0.252425  0.098918  0.403034  1
  Zr  Zr12  1  0.252425  0.830255  0.377618  1
  Zr  Zr13  1  0.752425  0.329302  0.488843  1
  Zr  Zr14  1  0.752425  0.060251  0.463343  1
  Zr  Zr15  1  0.752425  0.791091  0.437582  1
  Zr  Zr16  1  0.252425  0.368114  0.428475  1
  Zr  Zr17  1  0.252425  0.906793  0.480285  1
  Zr  Zr18  1  0.252425  0.637304  0.454558  1
  Zr  Zr19  1  0.752425  0.137101  0.566189  1
  Zr  Zr20  1  0.752425  0.867910  0.540107  1
  Zr  Zr21  1  0.752425  0.598422  0.514379  1
  Zr  Zr22  1  0.252425  0.175913  0.505822  1
  Zr  Zr23  1  0.252425  0.714124  0.557083  1
  Zr  Zr24  1  0.252425  0.444964  0.531321  1
  Zr  Zr25  1  0.752425  0.944361  0.642550  1
  Zr  Zr26  1  0.752425  0.674960  0.617046  1
  Zr  Zr27  1  0.752425  0.406297  0.591631  1
  Zr  Zr28  1  0.252425  0.983811  0.583012  1
  Zr  Zr29  1  0.252425  0.522216  0.633804  1
  Zr  Zr30  1  0.252425  0.252878  0.608203  1
  Zr  Zr31  1  0.752425  0.752023  0.719956  1
  Zr  Zr32  1  0.752425  0.479622  0.695819  1
  Zr  Zr33  1  0.752425  0.215076  0.668662  1
  Zr  Zr34  1  0.252425  0.789661  0.660066  1
  Zr  Zr35  1  0.252425  0.334252  0.711128  1
  Zr  Zr36  1  0.252425  0.059318  0.686423  1
  Ni  Ni37  1  0.752425  0.814619  0.296518  1
  Ni  Ni38  1  0.752425  0.550503  0.273993  1
  Ni  Ni39  1  0.752425  0.078689  0.322331  1
  Ni  Ni40  1  0.252425  0.888726  0.288804  1
  Ni  Ni41  1  0.252425  0.426062  0.339263  1
  Ni  Ni42  1  0.252425  0.155599  0.314480  1
  Ni  Ni43  1  0.252425  0.655950  0.311772  1
  Ni  Ni44  1  0.252425  0.387175  0.288750  1
  Ni  Ni45  1  0.252425  0.926207  0.337644  1
  Ni  Ni46  1  0.752425  0.580323  0.322376  1
  Ni  Ni47  1  0.752425  0.307971  0.296709  1
  Ni  Ni48  1  0.752425  0.032857  0.272295  1
  Ni  Ni49  1  0.752425  0.679309  0.284871  1
  Ni  Ni50  1  0.752425  0.211404  0.334516  1
  Ni  Ni51  1  0.752425  0.943796  0.309595  1
  Ni  Ni52  1  0.252425  0.792919  0.324585  1
  Ni  Ni53  1  0.252425  0.523471  0.300385  1
  Ni  Ni54  1  0.252425  0.252050  0.276645  1
  Ni  Ni55  1  0.752425  0.619348  0.374226  1
  Ni  Ni56  1  0.752425  0.349720  0.347494  1
  Ni  Ni57  1  0.752425  0.887907  0.399676  1
  Ni  Ni58  1  0.252425  0.695256  0.365051  1
  Ni  Ni59  1  0.252425  0.233314  0.416435  1
  Ni  Ni60  1  0.252425  0.964457  0.390845  1
  Ni  Ni61  1  0.252425  0.463648  0.389785  1
  Ni  Ni62  1  0.252425  0.193894  0.364279  1
  Ni  Ni63  1  0.252425  0.732906  0.415637  1
  Ni  Ni64  1  0.752425  0.387205  0.398207  1
  Ni  Ni65  1  0.752425  0.117722  0.372717  1
  Ni  Ni66  1  0.752425  0.849613  0.346801  1
  Ni  Ni67  1  0.752425  0.481746  0.360099  1
  Ni  Ni68  1  0.752425  0.020697  0.412202  1
  Ni  Ni69  1  0.752425  0.751507  0.386575  1
  Ni  Ni70  1  0.252425  0.600438  0.403132  1
  Ni  Ni71  1  0.252425  0.330737  0.376993  1
  Ni  Ni72  1  0.252425  0.060355  0.350962  1
  Ni  Ni73  1  0.752425  0.426046  0.450563  1
  Ni  Ni74  1  0.752425  0.156934  0.425104  1
  Ni  Ni75  1  0.752425  0.695478  0.476411  1
  Ni  Ni76  1  0.252425  0.502522  0.441971  1
  Ni  Ni77  1  0.252425  0.041270  0.493513  1
  Ni  Ni78  1  0.252425  0.771815  0.467720  1
  Ni  Ni79  1  0.252425  0.271322  0.466906  1
  Ni  Ni80  1  0.252425  1.002203  0.441397  1
  Ni  Ni81  1  0.252425  0.540326  0.492504  1
  Ni  Ni82  1  0.752425  0.194929  0.475655  1
  Ni  Ni83  1  0.752425  0.925870  0.450097  1
  Ni  Ni84  1  0.752425  0.656632  0.424481  1
  Ni  Ni85  1  0.752425  0.289780  0.437728  1
  Ni  Ni86  1  0.752425  0.828174  0.489028  1
  Ni  Ni87  1  0.752425  0.558685  0.463234  1
  Ni  Ni88  1  0.252425  0.407683  0.479782  1
  Ni  Ni89  1  0.252425  0.138581  0.454300  1
  Ni  Ni90  1  0.252425  0.869464  0.428805  1
  Ni  Ni91  1  0.752425  0.233892  0.527758  1
  Ni  Ni92  1  0.752425  0.964889  0.502160  1
  Ni  Ni93  1  0.752425  0.503011  0.553268  1
  Ni  Ni94  1  0.252425  0.310285  0.519009  1
  Ni  Ni95  1  0.252425  0.848582  0.570184  1
  Ni  Ni96  1  0.252425  0.579344  0.544567  1
  Ni  Ni97  1  0.252425  0.079168  0.544102  1
  Ni  Ni98  1  0.252425  0.809737  0.518253  1
  Ni  Ni99  1  0.252425  0.348281  0.569561  1
  Ni  Ni100  1  0.752425  0.002692  0.552694  1
  Ni  Ni101  1  0.752425  0.733399  0.526945  1
  Ni  Ni102  1  0.752425  0.463945  0.501151  1
  Ni  Ni103  1  0.752425  0.097532  0.514883  1
  Ni  Ni104  1  0.752425  0.635751  0.565859  1
  Ni  Ni105  1  0.752425  0.366634  0.540364  1
  Ni  Ni106  1  0.252425  0.215435  0.556937  1
  Ni  Ni107  1  0.252425  0.946530  0.531431  1
  Ni  Ni108  1  0.252425  0.677040  0.505637  1
  Ni  Ni109  1  0.752425  0.041566  0.604880  1
  Ni  Ni110  1  0.752425  0.772309  0.579028  1
  Ni  Ni111  1  0.752425  0.311321  0.630385  1
  Ni  Ni112  1  0.252425  0.118010  0.596458  1
  Ni  Ni113  1  0.252425  0.655602  0.647863  1
  Ni  Ni114  1  0.252425  0.387493  0.621948  1
  Ni  Ni115  1  0.252425  0.885866  0.620439  1
  Ni  Ni116  1  0.252425  0.617308  0.594989  1
  Ni  Ni117  1  0.252425  0.155494  0.647171  1
  Ni  Ni118  1  0.752425  0.809959  0.629614  1
  Ni  Ni119  1  0.752425  0.540758  0.603819  1
  Ni  Ni120  1  0.752425  0.271901  0.578229  1
  Ni  Ni121  1  0.752425  0.904777  0.591533  1
  Ni  Ni122  1  0.752425  0.444859  0.643703  1
  Ni  Ni123  1  0.752425  0.174477  0.617672  1
  Ni  Ni124  1  0.252425  0.023469  0.634566  1
  Ni  Ni125  1  0.252425  0.753708  0.608089  1
  Ni  Ni126  1  0.252425  0.484518  0.582463  1
  Ni  Ni127  1  0.752425  0.849264  0.682892  1
  Ni  Ni128  1  0.752425  0.579008  0.657020  1
  Ni  Ni129  1  0.752425  0.118040  0.705914  1
  Ni  Ni130  1  0.252425  0.924892  0.672289  1
  Ni  Ni131  1  0.252425  0.472358  0.722369  1
  Ni  Ni132  1  0.252425  0.197244  0.697955  1
  Ni  Ni133  1  0.252425  0.690596  0.698147  1
  Ni  Ni134  1  0.252425  0.426526  0.672333  1
  Ni  Ni135  1  0.252425  0.954712  0.720671  1
  Ni  Ni136  1  0.752425  0.616489  0.705861  1
  Ni  Ni137  1  0.752425  0.349616  0.680184  1
  Ni  Ni138  1  0.752425  0.079153  0.655401  1
  Ni  Ni139  1  0.752425  0.712296  0.670079  1
  Ni  Ni140  1  0.752425  0.253164  0.718019  1
  Ni  Ni141  1  0.752425  0.981743  0.694280  1
  Ni  Ni142  1  0.252425  0.825906  0.709793  1
  Ni  Ni143  1  0.252425  0.561419  0.685069  1
  Ni  Ni144  1  0.252425  0.293810  0.660149  1
