# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38907833
_cell_length_b   8.94380094
_cell_length_c   47.46117957
_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   'Zr16 Ni48'
_cell_volume   1863.09063905
_cell_formula_units_Z   16
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  0.753693  0.124785  0.278017  1
  Zr  Zr2  1  0.253693  0.286376  0.332521  1
  Zr  Zr3  1  0.753693  0.619072  0.334751  1
  Zr  Zr4  1  0.253693  0.785754  0.388453  1
  Zr  Zr5  1  0.753693  0.111316  0.390172  1
  Zr  Zr6  1  0.253693  0.280792  0.444274  1
  Zr  Zr7  1  0.753693  0.607784  0.445491  1
  Zr  Zr8  1  0.253693  0.776505  0.499257  1
  Zr  Zr9  1  0.753693  0.105078  0.500577  1
  Zr  Zr10  1  0.253693  0.273889  0.555807  1
  Zr  Zr11  1  0.753693  0.599989  0.557056  1
  Zr  Zr12  1  0.253693  0.769026  0.609476  1
  Zr  Zr13  1  0.753693  0.097322  0.610580  1
  Zr  Zr14  1  0.253693  0.264701  0.667016  1
  Zr  Zr15  1  0.753693  0.593183  0.671718  1
  Zr  Zr16  1  0.253693  0.754972  0.719661  1
  Ni  Ni17  1  0.753693  0.869101  0.306053  1
  Ni  Ni18  1  0.253693  0.033184  0.304868  1
  Ni  Ni19  1  0.253693  0.549331  0.304488  1
  Ni  Ni20  1  0.753693  0.371768  0.306095  1
  Ni  Ni21  1  0.753693  0.618589  0.280604  1
  Ni  Ni22  1  0.253693  0.298359  0.278304  1
  Ni  Ni23  1  0.753693  0.365403  0.362691  1
  Ni  Ni24  1  0.253693  0.536764  0.361098  1
  Ni  Ni25  1  0.253693  0.034343  0.359603  1
  Ni  Ni26  1  0.753693  0.866281  0.360693  1
  Ni  Ni27  1  0.753693  0.110399  0.333011  1
  Ni  Ni28  1  0.253693  0.792128  0.331137  1
  Ni  Ni29  1  0.753693  0.860836  0.418217  1
  Ni  Ni30  1  0.253693  0.031700  0.417065  1
  Ni  Ni31  1  0.253693  0.531710  0.416136  1
  Ni  Ni32  1  0.753693  0.361858  0.417086  1
  Ni  Ni33  1  0.753693  0.611265  0.389831  1
  Ni  Ni34  1  0.253693  0.286380  0.388753  1
  Ni  Ni35  1  0.753693  0.357502  0.473519  1
  Ni  Ni36  1  0.253693  0.526944  0.472560  1
  Ni  Ni37  1  0.253693  0.028025  0.471541  1
  Ni  Ni38  1  0.753693  0.857743  0.472488  1
  Ni  Ni39  1  0.753693  0.106601  0.445345  1
  Ni  Ni40  1  0.253693  0.782518  0.443963  1
  Ni  Ni41  1  0.753693  0.853239  0.528622  1
  Ni  Ni42  1  0.253693  0.023906  0.527631  1
  Ni  Ni43  1  0.253693  0.523751  0.527229  1
  Ni  Ni44  1  0.753693  0.354311  0.528200  1
  Ni  Ni45  1  0.753693  0.602226  0.501155  1
  Ni  Ni46  1  0.253693  0.279010  0.499996  1
  Ni  Ni47  1  0.753693  0.350894  0.584969  1
  Ni  Ni48  1  0.253693  0.519389  0.584130  1
  Ni  Ni49  1  0.253693  0.020639  0.581798  1
  Ni  Ni50  1  0.753693  0.848914  0.583296  1
  Ni  Ni51  1  0.753693  0.099122  0.555625  1
  Ni  Ni52  1  0.253693  0.774768  0.554412  1
  Ni  Ni53  1  0.753693  0.844239  0.640423  1
  Ni  Ni54  1  0.253693  0.015172  0.638926  1
  Ni  Ni55  1  0.253693  0.517713  0.638909  1
  Ni  Ni56  1  0.753693  0.347537  0.640193  1
  Ni  Ni57  1  0.753693  0.594464  0.613571  1
  Ni  Ni58  1  0.253693  0.271058  0.611923  1
  Ni  Ni59  1  0.753693  0.323591  0.696230  1
  Ni  Ni60  1  0.253693  0.503302  0.693844  1
  Ni  Ni61  1  0.253693  0.012212  0.692834  1
  Ni  Ni62  1  0.753693  0.861151  0.693854  1
  Ni  Ni63  1  0.753693  0.091431  0.666295  1
  Ni  Ni64  1  0.253693  0.769838  0.666068  1
