# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57640519
_cell_length_b   15.17968684
_cell_length_c   52.75654046
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi
_chemical_formula_sum   'Zr36 Ni36'
_cell_volume   2864.0845654
_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  0.502176  0.263396  0.394708  1
  Zr  Zr2  1  0.502176  0.070232  0.347799  1
  Zr  Zr3  1  0.502176  0.875507  0.301311  1
  Zr  Zr4  1  1.002176  0.453332  0.386954  1
  Zr  Zr5  1  1.002176  0.258342  0.338165  1
  Zr  Zr6  1  1.002176  0.066219  0.294759  1
  Zr  Zr7  1  1.002176  0.472679  0.324746  1
  Zr  Zr8  1  1.002176  0.860485  0.419390  1
  Zr  Zr9  1  1.002176  0.665105  0.371452  1
  Zr  Zr10  1  0.502176  0.663977  0.316074  1
  Zr  Zr11  1  0.502176  0.051367  0.411009  1
  Zr  Zr12  1  0.502176  0.855768  0.363581  1
  Zr  Zr13  1  0.502176  0.847288  0.538602  1
  Zr  Zr14  1  0.502176  0.652535  0.490759  1
  Zr  Zr15  1  0.502176  0.457701  0.442881  1
  Zr  Zr16  1  1.002176  0.037719  0.530058  1
  Zr  Zr17  1  1.002176  0.843157  0.482611  1
  Zr  Zr18  1  1.002176  0.648246  0.434746  1
  Zr  Zr19  1  1.002176  0.055275  0.466845  1
  Zr  Zr20  1  1.002176  0.444749  0.562156  1
  Zr  Zr21  1  1.002176  0.249837  0.514292  1
  Zr  Zr22  1  0.502176  0.245706  0.458301  1
  Zr  Zr23  1  0.502176  0.635293  0.554022  1
  Zr  Zr24  1  0.502176  0.440459  0.506144  1
  Zr  Zr25  1  0.502176  0.429018  0.680829  1
  Zr  Zr26  1  0.502176  0.237226  0.633322  1
  Zr  Zr27  1  0.502176  0.041627  0.585894  1
  Zr  Zr28  1  1.002176  0.620315  0.672156  1
  Zr  Zr29  1  1.002176  0.427889  0.625451  1
  Zr  Zr30  1  1.002176  0.232509  0.577513  1
  Zr  Zr31  1  1.002176  0.639662  0.609949  1
  Zr  Zr32  1  1.002176  0.026775  0.702144  1
  Zr  Zr33  1  1.002176  0.834652  0.658737  1
  Zr  Zr34  1  0.502176  0.829598  0.602195  1
  Zr  Zr35  1  0.502176  0.217487  0.695592  1
  Zr  Zr36  1  0.502176  0.022762  0.649104  1
  Ni  Ni37  1  0.502176  0.380292  0.353942  1
  Ni  Ni38  1  0.502176  0.187085  0.306213  1
  Ni  Ni39  1  0.502176  0.575088  0.402450  1
  Ni  Ni40  1  1.002176  0.751551  0.285078  1
  Ni  Ni41  1  1.002176  0.142244  0.379887  1
  Ni  Ni42  1  1.002176  0.946484  0.332483  1
  Ni  Ni43  1  1.002176  0.172969  0.426125  1
  Ni  Ni44  1  1.002176  0.978196  0.379081  1
  Ni  Ni45  1  1.002176  0.783412  0.330886  1
  Ni  Ni46  1  0.502176  0.543759  0.355617  1
  Ni  Ni47  1  0.502176  0.350747  0.307496  1
  Ni  Ni48  1  0.502176  0.738618  0.403881  1
  Ni  Ni49  1  0.502176  0.964703  0.497969  1
  Ni  Ni50  1  0.502176  0.769974  0.450355  1
  Ni  Ni51  1  0.502176  0.159401  0.545398  1
  Ni  Ni52  1  1.002176  0.335974  0.427272  1
  Ni  Ni53  1  1.002176  0.725694  0.523052  1
  Ni  Ni54  1  1.002176  0.530849  0.475184  1
  Ni  Ni55  1  1.002176  0.757021  0.569630  1
  Ni  Ni56  1  1.002176  0.562145  0.521719  1
  Ni  Ni57  1  1.002176  0.367301  0.473851  1
  Ni  Ni58  1  0.502176  0.128291  0.498934  1
  Ni  Ni59  1  0.502176  0.933593  0.451505  1
  Ni  Ni60  1  0.502176  0.323020  0.546548  1
  Ni  Ni61  1  0.502176  0.549235  0.641286  1
  Ni  Ni62  1  0.502176  0.354377  0.593021  1
  Ni  Ni63  1  0.502176  0.742247  0.689407  1
  Ni  Ni64  1  1.002176  0.920025  0.570777  1
  Ni  Ni65  1  1.002176  0.309583  0.666017  1
  Ni  Ni66  1  1.002176  0.114799  0.617822  1
  Ni  Ni67  1  1.002176  0.341443  0.711824  1
  Ni  Ni68  1  1.002176  0.146510  0.664420  1
  Ni  Ni69  1  1.002176  0.950750  0.617016  1
  Ni  Ni70  1  0.502176  0.712703  0.642961  1
  Ni  Ni71  1  0.502176  0.517906  0.594453  1
  Ni  Ni72  1  0.502176  0.905909  0.690689  1
