# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.98485005
_cell_length_b   6.98485005
_cell_length_c   49.11168296
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi2
_chemical_formula_sum   'Zr24 Ni48'
_cell_volume   2396.06718529
_cell_formula_units_Z   24
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  0.501362  0.501362  0.361808  1
  Zr  Zr2  1  0.751362  0.251362  0.327405  1
  Zr  Zr3  1  0.001362  0.001362  0.361808  1
  Zr  Zr4  1  0.251362  0.751362  0.327405  1
  Zr  Zr5  1  0.501362  0.001362  0.292866  1
  Zr  Zr6  1  0.751362  0.751362  0.397941  1
  Zr  Zr7  1  0.001362  0.501362  0.292866  1
  Zr  Zr8  1  0.251362  0.251362  0.397941  1
  Zr  Zr9  1  0.501362  0.501362  0.505161  1
  Zr  Zr10  1  0.751362  0.251362  0.469328  1
  Zr  Zr11  1  0.001362  0.001362  0.505161  1
  Zr  Zr12  1  0.251362  0.751362  0.469328  1
  Zr  Zr13  1  0.501362  0.001362  0.433567  1
  Zr  Zr14  1  0.751362  0.751362  0.540903  1
  Zr  Zr15  1  0.001362  0.501362  0.433567  1
  Zr  Zr16  1  0.251362  0.251362  0.540903  1
  Zr  Zr17  1  0.501362  0.501362  0.648181  1
  Zr  Zr18  1  0.751362  0.251362  0.612288  1
  Zr  Zr19  1  0.001362  0.001362  0.648181  1
  Zr  Zr20  1  0.251362  0.751362  0.612288  1
  Zr  Zr21  1  0.501362  0.001362  0.576630  1
  Zr  Zr22  1  0.751362  0.751362  0.683975  1
  Zr  Zr23  1  0.001362  0.501362  0.576630  1
  Zr  Zr24  1  0.251362  0.251362  0.683975  1
  Ni  Ni25  1  0.376641  0.876641  0.380073  1
  Ni  Ni26  1  0.626558  0.876167  0.343699  1
  Ni  Ni27  1  0.626084  0.126084  0.380073  1
  Ni  Ni28  1  0.376167  0.126558  0.343699  1
  Ni  Ni29  1  0.876641  0.376641  0.380073  1
  Ni  Ni30  1  0.126558  0.376167  0.343699  1
  Ni  Ni31  1  0.126084  0.626084  0.380073  1
  Ni  Ni32  1  0.876167  0.626558  0.343699  1
  Ni  Ni33  1  0.377706  0.377706  0.307735  1
  Ni  Ni34  1  0.626238  0.376487  0.415837  1
  Ni  Ni35  1  0.625019  0.625019  0.307735  1
  Ni  Ni36  1  0.376487  0.626238  0.415837  1
  Ni  Ni37  1  0.877706  0.877706  0.307735  1
  Ni  Ni38  1  0.126238  0.876487  0.415837  1
  Ni  Ni39  1  0.125019  0.125019  0.307735  1
  Ni  Ni40  1  0.876487  0.126238  0.415837  1
  Ni  Ni41  1  0.376374  0.876374  0.522999  1
  Ni  Ni42  1  0.626327  0.876397  0.487248  1
  Ni  Ni43  1  0.626350  0.126350  0.522999  1
  Ni  Ni44  1  0.376397  0.126327  0.487248  1
  Ni  Ni45  1  0.876374  0.376374  0.522999  1
  Ni  Ni46  1  0.126327  0.376397  0.487248  1
  Ni  Ni47  1  0.126350  0.626350  0.522999  1
  Ni  Ni48  1  0.876397  0.626327  0.487248  1
  Ni  Ni49  1  0.376312  0.376312  0.451564  1
  Ni  Ni50  1  0.626394  0.376331  0.558736  1
  Ni  Ni51  1  0.626412  0.626412  0.451564  1
  Ni  Ni52  1  0.376331  0.626394  0.558736  1
  Ni  Ni53  1  0.876312  0.876312  0.451564  1
  Ni  Ni54  1  0.126394  0.876331  0.558736  1
  Ni  Ni55  1  0.126412  0.126412  0.451564  1
  Ni  Ni56  1  0.876331  0.126394  0.558736  1
  Ni  Ni57  1  0.376261  0.876261  0.666074  1
  Ni  Ni58  1  0.626767  0.875958  0.630517  1
  Ni  Ni59  1  0.626464  0.126464  0.666074  1
  Ni  Ni60  1  0.375958  0.126767  0.630517  1
  Ni  Ni61  1  0.876261  0.376261  0.666074  1
  Ni  Ni62  1  0.126767  0.375958  0.630517  1
  Ni  Ni63  1  0.126464  0.626464  0.666074  1
  Ni  Ni64  1  0.875958  0.626767  0.630517  1
  Ni  Ni65  1  0.376252  0.376252  0.594412  1
  Ni  Ni66  1  0.621920  0.380804  0.700591  1
  Ni  Ni67  1  0.626473  0.626473  0.594412  1
  Ni  Ni68  1  0.380804  0.621920  0.700591  1
  Ni  Ni69  1  0.876252  0.876252  0.594412  1
  Ni  Ni70  1  0.121920  0.880804  0.700591  1
  Ni  Ni71  1  0.126473  0.126473  0.594412  1
  Ni  Ni72  1  0.880804  0.121920  0.700591  1
