# generated using pymatgen
data_Zr2Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24968231
_cell_length_b   20.30201301
_cell_length_c   55.76870188
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni
_chemical_formula_sum   'Zr96 Ni48'
_cell_volume   5943.77909058
_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  0.503366  0.234703  0.359367  1
  Zr  Zr2  1  0.503366  0.932435  0.319044  1
  Zr  Zr3  1  0.503366  0.631553  0.286574  1
  Zr  Zr4  1  0.503366  0.333006  0.309081  1
  Zr  Zr5  1  0.503366  0.930745  0.383024  1
  Zr  Zr6  1  0.503366  0.630827  0.347253  1
  Zr  Zr7  1  1.003366  0.266770  0.322439  1
  Zr  Zr8  1  1.003366  0.978514  0.286450  1
  Zr  Zr9  1  1.003366  0.566381  0.359187  1
  Zr  Zr10  1  1.003366  0.265236  0.383420  1
  Zr  Zr11  1  1.003366  0.964437  0.345620  1
  Zr  Zr12  1  1.003366  0.663744  0.310534  1
  Zr  Zr13  1  1.003366  0.131553  0.286574  1
  Zr  Zr14  1  1.003366  0.734703  0.359367  1
  Zr  Zr15  1  1.003366  0.432435  0.319044  1
  Zr  Zr16  1  1.003366  0.130827  0.347253  1
  Zr  Zr17  1  1.003366  0.833006  0.309081  1
  Zr  Zr18  1  1.003366  0.430745  0.383024  1
  Zr  Zr19  1  0.503366  0.066381  0.359187  1
  Zr  Zr20  1  0.503366  0.766770  0.322439  1
  Zr  Zr21  1  0.503366  0.478514  0.286450  1
  Zr  Zr22  1  0.503366  0.163744  0.310534  1
  Zr  Zr23  1  0.503366  0.765236  0.383420  1
  Zr  Zr24  1  0.503366  0.464437  0.345620  1
  Zr  Zr25  1  0.503366  0.132442  0.470534  1
  Zr  Zr26  1  0.503366  0.833149  0.433402  1
  Zr  Zr27  1  0.503366  0.532699  0.396347  1
  Zr  Zr28  1  0.503366  0.231216  0.420960  1
  Zr  Zr29  1  0.503366  0.830091  0.495035  1
  Zr  Zr30  1  0.503366  0.530137  0.457877  1
  Zr  Zr31  1  1.003366  0.166323  0.433278  1
  Zr  Zr32  1  1.003366  0.867213  0.395872  1
  Zr  Zr33  1  0.003366  0.466256  0.470375  1
  Zr  Zr34  1  1.003366  0.163478  0.494710  1
  Zr  Zr35  1  0.003366  0.864090  0.457687  1
  Zr  Zr36  1  1.003366  0.563798  0.420401  1
  Zr  Zr37  1  1.003366  0.032699  0.396347  1
  Zr  Zr38  1  0.003366  0.632442  0.470534  1
  Zr  Zr39  1  0.003366  0.333149  0.433402  1
  Zr  Zr40  1  0.003366  0.030137  0.457877  1
  Zr  Zr41  1  1.003366  0.731216  0.420960  1
  Zr  Zr42  1  0.003366  0.330091  0.495035  1
  Zr  Zr43  1  0.503366  0.966256  0.470375  1
  Zr  Zr44  1  0.503366  0.666323  0.433278  1
  Zr  Zr45  1  0.503366  0.367213  0.395872  1
  Zr  Zr46  1  0.503366  0.063798  0.420401  1
  Zr  Zr47  1  0.503366  0.663478  0.494710  1
  Zr  Zr48  1  0.503366  0.364090  0.457687  1
  Zr  Zr49  1  0.503366  0.031704  0.582179  1
  Zr  Zr50  1  0.503366  0.731874  0.544718  1
  Zr  Zr51  1  0.503366  0.432233  0.507775  1
  Zr  Zr52  1  0.503366  0.129506  0.532072  1
  Zr  Zr53  1  0.503366  0.728855  0.606305  1
  Zr  Zr54  1  0.503366  0.429453  0.569353  1
  Zr  Zr55  1  1.003366  0.065412  0.544600  1
  Zr  Zr56  1  0.003366  0.765760  0.507385  1
  Zr  Zr57  1  0.003366  0.364864  0.581746  1
  Zr  Zr58  1  1.003366  0.062974  0.606192  1
  Zr  Zr59  1  0.003366  0.762913  0.568940  1
  Zr  Zr60  1  0.003366  0.463271  0.532007  1
  Zr  Zr61  1  0.003366  0.932233  0.507775  1
  Zr  Zr62  1  0.003366  0.531704  0.582179  1
  Zr  Zr63  1  1.003366  0.231874  0.544718  1
  Zr  Zr64  1  1.003366  0.929453  0.569353  1
  Zr  Zr65  1  0.003366  0.629506  0.532072  1
  Zr  Zr66  1  1.003366  0.228855  0.606305  1
  Zr  Zr67  1  0.503366  0.864864  0.581746  1
  Zr  Zr68  1  0.503366  0.565412  0.544600  1
  Zr  Zr69  1  0.503366  0.265760  0.507385  1
  Zr  Zr70  1  0.503366  0.963271  0.532007  1
  Zr  Zr71  1  0.503366  0.562974  0.606192  1
  Zr  Zr72  1  0.503366  0.262913  0.568940  1
  Zr  Zr73  1  0.503366  0.932765  0.692440  1
  Zr  Zr74  1  0.503366  0.632931  0.656488  1
  Zr  Zr75  1  0.503366  0.330784  0.619098  1
  Zr  Zr76  1  0.503366  0.030718  0.643473  1
  Zr  Zr77  1  0.503366  0.619571  0.715639  1
  Zr  Zr78  1  0.503366  0.330997  0.680472  1
  Zr  Zr79  1  1.003366  0.965351  0.655664  1
  Zr  Zr80  1  1.003366  0.665361  0.618969  1
  Zr  Zr81  1  1.003366  0.265189  0.693332  1
  Zr  Zr82  1  1.003366  0.965891  0.714577  1
  Zr  Zr83  1  1.003366  0.667291  0.683343  1
  Zr  Zr84  1  1.003366  0.362257  0.643784  1
  Zr  Zr85  1  1.003366  0.830784  0.619098  1
  Zr  Zr86  1  1.003366  0.432765  0.692440  1
  Zr  Zr87  1  1.003366  0.132931  0.656488  1
  Zr  Zr88  1  1.003366  0.830997  0.680472  1
  Zr  Zr89  1  1.003366  0.530718  0.643473  1
  Zr  Zr90  1  0.003366  0.119571  0.715639  1
  Zr  Zr91  1  0.503366  0.765189  0.693332  1
  Zr  Zr92  1  0.503366  0.465351  0.655664  1
  Zr  Zr93  1  0.503366  0.165361  0.618969  1
  Zr  Zr94  1  0.503366  0.862257  0.643784  1
  Zr  Zr95  1  0.503366  0.465891  0.714577  1
  Zr  Zr96  1  0.503366  0.167291  0.683343  1
  Ni  Ni97  1  0.752658  0.245688  0.281047  1
  Ni  Ni98  1  0.752374  0.850836  0.352127  1
  Ni  Ni99  1  0.754220  0.548761  0.316760  1
  Ni  Ni100  1  0.254074  0.245688  0.281047  1
  Ni  Ni101  1  0.254358  0.850836  0.352127  1
  Ni  Ni102  1  0.252512  0.548761  0.316760  1
  Ni  Ni103  1  0.252374  0.350836  0.352127  1
  Ni  Ni104  1  0.254220  0.048761  0.316760  1
  Ni  Ni105  1  0.252658  0.745688  0.281047  1
  Ni  Ni106  1  0.754358  0.350836  0.352127  1
  Ni  Ni107  1  0.752512  0.048761  0.316760  1
  Ni  Ni108  1  0.754074  0.745688  0.281047  1
  Ni  Ni109  1  0.753109  0.149634  0.390397  1
  Ni  Ni110  1  0.753216  0.748338  0.464143  1
  Ni  Ni111  1  0.753781  0.448338  0.426946  1
  Ni  Ni112  1  0.253623  0.149634  0.390397  1
  Ni  Ni113  1  0.253517  0.748338  0.464143  1
  Ni  Ni114  1  0.252951  0.448338  0.426946  1
  Ni  Ni115  1  0.253216  0.248338  0.464143  1
  Ni  Ni116  1  0.253781  0.948338  0.426946  1
  Ni  Ni117  1  0.253109  0.649634  0.390397  1
  Ni  Ni118  1  0.753517  0.248338  0.464143  1
  Ni  Ni119  1  0.752951  0.948338  0.426946  1
  Ni  Ni120  1  0.753623  0.649634  0.390397  1
  Ni  Ni121  1  0.753443  0.047832  0.501250  1
  Ni  Ni122  1  0.753700  0.647224  0.575317  1
  Ni  Ni123  1  0.753347  0.347596  0.538353  1
  Ni  Ni124  1  0.253289  0.047832  0.501250  1
  Ni  Ni125  1  0.253033  0.647224  0.575317  1
  Ni  Ni126  1  0.253386  0.347596  0.538353  1
  Ni  Ni127  1  0.253700  0.147224  0.575317  1
  Ni  Ni128  1  0.253347  0.847596  0.538353  1
  Ni  Ni129  1  0.253443  0.547832  0.501250  1
  Ni  Ni130  1  0.753033  0.147224  0.575317  1
  Ni  Ni131  1  0.753386  0.847596  0.538353  1
  Ni  Ni132  1  0.753289  0.547832  0.501250  1
  Ni  Ni133  1  0.753036  0.946224  0.612514  1
  Ni  Ni134  1  0.755497  0.548537  0.685742  1
  Ni  Ni135  1  0.751853  0.246961  0.650466  1
  Ni  Ni136  1  0.253696  0.946224  0.612514  1
  Ni  Ni137  1  0.251236  0.548537  0.685742  1
  Ni  Ni138  1  0.254879  0.246961  0.650466  1
  Ni  Ni139  1  0.255497  0.048537  0.685742  1
  Ni  Ni140  1  0.251853  0.746961  0.650466  1
  Ni  Ni141  1  0.253036  0.446224  0.612514  1
  Ni  Ni142  1  0.751236  0.048537  0.685742  1
  Ni  Ni143  1  0.754879  0.746961  0.650466  1
  Ni  Ni144  1  0.753696  0.446224  0.612514  1
