# generated using pymatgen
data_Zr2Ni7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.95247376
_cell_length_b   6.89002650
_cell_length_c   46.67879996
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2Ni7
_chemical_formula_sum   'Zr20 Ni70'
_cell_volume   2557.66004688
_cell_formula_units_Z   10
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  0.007273  0.169867  0.293172  1
  Zr  Zr2  1  0.007273  0.891159  0.348723  1
  Zr  Zr3  1  0.507273  0.312125  0.330812  1
  Zr  Zr4  1  0.507273  0.747559  0.302218  1
  Zr  Zr5  1  0.007273  0.449616  0.378013  1
  Zr  Zr6  1  0.007273  0.176271  0.438448  1
  Zr  Zr7  1  0.507273  0.592878  0.422767  1
  Zr  Zr8  1  0.507273  0.034389  0.392266  1
  Zr  Zr9  1  0.007273  0.737547  0.469045  1
  Zr  Zr10  1  0.007273  0.466703  0.529340  1
  Zr  Zr11  1  0.507273  0.882950  0.514425  1
  Zr  Zr12  1  0.507273  0.321582  0.483325  1
  Zr  Zr13  1  0.007273  0.026812  0.560220  1
  Zr  Zr14  1  0.007273  0.751797  0.621058  1
  Zr  Zr15  1  0.507273  0.169806  0.604579  1
  Zr  Zr16  1  0.507273  0.610652  0.575006  1
  Zr  Zr17  1  0.007273  0.309516  0.650485  1
  Zr  Zr18  1  0.007273  0.021392  0.705713  1
  Zr  Zr19  1  0.507273  0.442320  0.693274  1
  Zr  Zr20  1  0.507273  0.890703  0.663883  1
  Ni  Ni21  1  0.007273  0.528000  0.316882  1
  Ni  Ni22  1  0.345656  0.104533  0.293063  1
  Ni  Ni23  1  0.341849  0.957312  0.342081  1
  Ni  Ni24  1  0.672697  0.957312  0.342081  1
  Ni  Ni25  1  0.668890  0.104533  0.293063  1
  Ni  Ni26  1  0.759326  0.453764  0.291228  1
  Ni  Ni27  1  0.255220  0.453764  0.291228  1
  Ni  Ni28  1  0.507273  0.382809  0.268459  1
  Ni  Ni29  1  0.839903  0.245877  0.337562  1
  Ni  Ni30  1  0.846394  0.819349  0.298828  1
  Ni  Ni31  1  0.168152  0.819349  0.298828  1
  Ni  Ni32  1  0.174643  0.245877  0.337562  1
  Ni  Ni33  1  0.259458  0.597200  0.338215  1
  Ni  Ni34  1  0.755088  0.597200  0.338215  1
  Ni  Ni35  1  0.007273  0.812201  0.408613  1
  Ni  Ni36  1  0.344568  0.385300  0.381939  1
  Ni  Ni37  1  0.343347  0.241447  0.432691  1
  Ni  Ni38  1  0.671199  0.241447  0.432691  1
  Ni  Ni39  1  0.669978  0.385300  0.381939  1
  Ni  Ni40  1  0.757678  0.739256  0.384942  1
  Ni  Ni41  1  0.256868  0.739256  0.384942  1
  Ni  Ni42  1  0.507273  0.673188  0.361904  1
  Ni  Ni43  1  0.842914  0.527599  0.428334  1
  Ni  Ni44  1  0.843085  0.099036  0.388408  1
  Ni  Ni45  1  0.171461  0.099036  0.388408  1
  Ni  Ni46  1  0.171632  0.527599  0.428334  1
  Ni  Ni47  1  0.258885  0.884264  0.430613  1
  Ni  Ni48  1  0.755661  0.884264  0.430613  1
  Ni  Ni49  1  0.007273  0.101704  0.499157  1
  Ni  Ni50  1  0.343901  0.672961  0.473814  1
  Ni  Ni51  1  0.343475  0.531559  0.524175  1
  Ni  Ni52  1  0.671071  0.531559  0.524175  1
  Ni  Ni53  1  0.670645  0.672961  0.473814  1
  Ni  Ni54  1  0.757299  0.029361  0.476259  1
  Ni  Ni55  1  0.257247  0.029361  0.476259  1
  Ni  Ni56  1  0.507273  0.957961  0.453483  1
  Ni  Ni57  1  0.843240  0.818212  0.519734  1
  Ni  Ni58  1  0.843450  0.386192  0.478660  1
  Ni  Ni59  1  0.171096  0.386192  0.478660  1
  Ni  Ni60  1  0.171306  0.818212  0.519734  1
  Ni  Ni61  1  0.257137  0.174699  0.521801  1
  Ni  Ni62  1  0.757409  0.174699  0.521801  1
  Ni  Ni63  1  0.007273  0.389840  0.589938  1
  Ni  Ni64  1  0.343320  0.961914  0.564872  1
  Ni  Ni65  1  0.341864  0.816359  0.615306  1
  Ni  Ni66  1  0.672682  0.816359  0.615306  1
  Ni  Ni67  1  0.671226  0.961914  0.564872  1
  Ni  Ni68  1  0.757054  0.319700  0.567328  1
  Ni  Ni69  1  0.257492  0.319700  0.567328  1
  Ni  Ni70  1  0.507273  0.247328  0.544356  1
  Ni  Ni71  1  0.842556  0.103584  0.610091  1
  Ni  Ni72  1  0.844122  0.676191  0.570227  1
  Ni  Ni73  1  0.170424  0.676191  0.570227  1
  Ni  Ni74  1  0.171990  0.103584  0.610091  1
  Ni  Ni75  1  0.256557  0.463403  0.613197  1
  Ni  Ni76  1  0.757989  0.463403  0.613197  1
  Ni  Ni77  1  0.007273  0.676154  0.685048  1
  Ni  Ni78  1  0.340612  0.243415  0.654759  1
  Ni  Ni79  1  0.345200  0.098938  0.702819  1
  Ni  Ni80  1  0.669346  0.098938  0.702819  1
  Ni  Ni81  1  0.673934  0.243415  0.654759  1
  Ni  Ni82  1  0.760546  0.604785  0.660078  1
  Ni  Ni83  1  0.254000  0.604785  0.660078  1
  Ni  Ni84  1  0.507273  0.531527  0.635985  1
  Ni  Ni85  1  0.845006  0.382205  0.699858  1
  Ni  Ni86  1  0.841465  0.952728  0.660915  1
  Ni  Ni87  1  0.173081  0.952728  0.660915  1
  Ni  Ni88  1  0.169540  0.382205  0.699858  1
  Ni  Ni89  1  0.287931  0.750746  0.706852  1
  Ni  Ni90  1  0.726615  0.750746  0.706852  1
