# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56219218
_cell_length_b   6.46755550
_cell_length_c   56.95354804
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.88748134
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr12 Ni42'
_cell_volume   1624.07444452
_cell_formula_units_Z   6
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  0.854102  0.764488  0.299572  1
  Zr  Zr2  1  0.043228  0.305014  0.302092  1
  Zr  Zr3  1  0.386378  0.743280  0.367182  1
  Zr  Zr4  1  0.573365  0.283366  0.370405  1
  Zr  Zr5  1  0.935762  0.715921  0.438052  1
  Zr  Zr6  1  0.128231  0.254862  0.441545  1
  Zr  Zr7  1  0.473529  0.695969  0.511603  1
  Zr  Zr8  1  0.662591  0.237451  0.511419  1
  Zr  Zr9  1  0.930949  0.718591  0.585102  1
  Zr  Zr10  1  0.123626  0.257159  0.581515  1
  Zr  Zr11  1  0.373699  0.743989  0.655426  1
  Zr  Zr12  1  0.561162  0.285917  0.651664  1
  Ni  Ni13  1  0.466331  0.033229  0.292903  1
  Ni  Ni14  1  0.871487  0.654522  0.390607  1
  Ni  Ni15  1  0.112202  0.350658  0.393898  1
  Ni  Ni16  1  0.640422  0.344499  0.417863  1
  Ni  Ni17  1  0.396183  0.647312  0.414540  1
  Ni  Ni18  1  0.750316  1.000271  0.402978  1
  Ni  Ni19  1  0.248823  0.999037  0.404539  1
  Ni  Ni20  1  1.000287  0.011747  0.367198  1
  Ni  Ni21  1  0.331724  0.681934  0.320313  1
  Ni  Ni22  1  0.576278  0.376309  0.322790  1
  Ni  Ni23  1  0.090667  0.371456  0.346722  1
  Ni  Ni24  1  0.851164  0.673358  0.344007  1
  Ni  Ni25  1  0.214641  0.029058  0.329826  1
  Ni  Ni26  1  0.704346  0.025063  0.332528  1
  Ni  Ni27  1  0.530081  0.985893  0.439749  1
  Ni  Ni28  1  0.939650  0.624271  0.536310  1
  Ni  Ni29  1  0.184304  0.321835  0.534573  1
  Ni  Ni30  1  0.663875  0.327278  0.558020  1
  Ni  Ni31  1  0.419041  0.629083  0.560653  1
  Ni  Ni32  1  0.809825  0.972281  0.548349  1
  Ni  Ni33  1  0.310872  0.972846  0.546627  1
  Ni  Ni34  1  0.048925  0.969783  0.511591  1
  Ni  Ni35  1  0.422047  0.627727  0.462379  1
  Ni  Ni36  1  0.668325  0.326487  0.464781  1
  Ni  Ni37  1  0.186783  0.321154  0.488379  1
  Ni  Ni38  1  0.940975  0.622937  0.486926  1
  Ni  Ni39  1  0.315510  0.971154  0.476894  1
  Ni  Ni40  1  0.815263  0.971175  0.474537  1
  Ni  Ni41  1  0.534050  0.987213  0.583744  1
  Ni  Ni42  1  0.839143  0.693005  0.679658  1
  Ni  Ni43  1  0.068674  0.370684  0.676674  1
  Ni  Ni44  1  0.560308  0.381835  0.697555  1
  Ni  Ni45  1  0.311924  0.680416  0.701629  1
  Ni  Ni46  1  0.655095  0.028978  0.688415  1
  Ni  Ni47  1  0.166116  0.038665  0.697280  1
  Ni  Ni48  1  0.010975  0.018024  0.657203  1
  Ni  Ni49  1  0.391404  0.649242  0.607962  1
  Ni  Ni50  1  0.637016  0.346875  0.604468  1
  Ni  Ni51  1  0.103137  0.355297  0.629221  1
  Ni  Ni52  1  0.860143  0.658833  0.632837  1
  Ni  Ni53  1  0.237459  0.001901  0.618126  1
  Ni  Ni54  1  0.743613  0.004222  0.621377  1
