# generated using pymatgen
data_ZrNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57312459
_cell_length_b   9.80698341
_cell_length_c   50.75341912
_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   'Zr24 Ni24'
_cell_volume   1778.47966876
_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  0.502637  0.637570  0.324097  1
  Zr  Zr2  1  1.002637  0.863762  0.287939  1
  Zr  Zr3  1  1.002637  0.137570  0.324097  1
  Zr  Zr4  1  0.502637  0.363762  0.287939  1
  Zr  Zr5  1  0.502637  0.638992  0.401077  1
  Zr  Zr6  1  1.002637  0.863285  0.362368  1
  Zr  Zr7  1  1.002637  0.138992  0.401077  1
  Zr  Zr8  1  0.502637  0.363285  0.362368  1
  Zr  Zr9  1  0.502637  0.638950  0.478098  1
  Zr  Zr10  1  1.002637  0.863472  0.439600  1
  Zr  Zr11  1  1.002637  0.138950  0.478098  1
  Zr  Zr12  1  0.502637  0.363472  0.439600  1
  Zr  Zr13  1  0.502637  0.638945  0.555114  1
  Zr  Zr14  1  1.002637  0.863468  0.516616  1
  Zr  Zr15  1  1.002637  0.138945  0.555114  1
  Zr  Zr16  1  0.502637  0.363468  0.516616  1
  Zr  Zr17  1  0.502637  0.639132  0.632347  1
  Zr  Zr18  1  1.002637  0.863425  0.593637  1
  Zr  Zr19  1  1.002637  0.139132  0.632347  1
  Zr  Zr20  1  0.502637  0.363425  0.593637  1
  Zr  Zr21  1  0.502637  0.638655  0.706775  1
  Zr  Zr22  1  1.002637  0.864847  0.670617  1
  Zr  Zr23  1  1.002637  0.138655  0.706775  1
  Zr  Zr24  1  0.502637  0.364847  0.670617  1
  Ni  Ni25  1  0.502637  0.922178  0.324000  1
  Ni  Ni26  1  1.002637  0.577833  0.284537  1
  Ni  Ni27  1  1.002637  0.422178  0.324000  1
  Ni  Ni28  1  0.502637  0.077833  0.284537  1
  Ni  Ni29  1  0.502637  0.921867  0.401059  1
  Ni  Ni30  1  1.002637  0.580449  0.362680  1
  Ni  Ni31  1  1.002637  0.421867  0.401059  1
  Ni  Ni32  1  0.502637  0.080449  0.362680  1
  Ni  Ni33  1  0.502637  0.921983  0.478100  1
  Ni  Ni34  1  1.002637  0.580423  0.439568  1
  Ni  Ni35  1  1.002637  0.421983  0.478100  1
  Ni  Ni36  1  0.502637  0.080423  0.439568  1
  Ni  Ni37  1  0.502637  0.921994  0.555147  1
  Ni  Ni38  1  1.002637  0.580434  0.516615  1
  Ni  Ni39  1  1.002637  0.421994  0.555147  1
  Ni  Ni40  1  0.502637  0.080434  0.516615  1
  Ni  Ni41  1  0.502637  0.921968  0.632035  1
  Ni  Ni42  1  1.002637  0.580550  0.593655  1
  Ni  Ni43  1  1.002637  0.421968  0.632035  1
  Ni  Ni44  1  0.502637  0.080550  0.593655  1
  Ni  Ni45  1  0.502637  0.924584  0.710177  1
  Ni  Ni46  1  1.002637  0.580239  0.670715  1
  Ni  Ni47  1  1.002637  0.424584  0.710177  1
  Ni  Ni48  1  0.502637  0.080239  0.670715  1
