# generated using pymatgen
data_ZrNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99506253
_cell_length_b   6.99506253
_cell_length_c   49.24831840
_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   2409.76453123
_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  0.251781  0.751781  0.327024  1
  Zr  Zr2  1  0.501781  0.001781  0.292746  1
  Zr  Zr3  1  0.751781  0.251781  0.327024  1
  Zr  Zr4  1  1.001781  0.501781  0.292746  1
  Zr  Zr5  1  0.251781  0.251781  0.397628  1
  Zr  Zr6  1  0.501781  0.501781  0.361365  1
  Zr  Zr7  1  0.751781  0.751781  0.397628  1
  Zr  Zr8  1  1.001781  0.001781  0.361365  1
  Zr  Zr9  1  0.251781  0.751781  0.469117  1
  Zr  Zr10  1  0.501781  0.001781  0.433374  1
  Zr  Zr11  1  0.751781  0.251781  0.469117  1
  Zr  Zr12  1  1.001781  0.501781  0.433374  1
  Zr  Zr13  1  0.251781  0.251781  0.540675  1
  Zr  Zr14  1  0.501781  0.501781  0.504886  1
  Zr  Zr15  1  0.751781  0.751781  0.540675  1
  Zr  Zr16  1  1.001781  0.001781  0.504886  1
  Zr  Zr17  1  0.251781  0.751781  0.612031  1
  Zr  Zr18  1  0.501781  0.001781  0.576468  1
  Zr  Zr19  1  0.751781  0.251781  0.612031  1
  Zr  Zr20  1  1.001781  0.501781  0.576468  1
  Zr  Zr21  1  0.251781  0.251781  0.683807  1
  Zr  Zr22  1  0.501781  0.501781  0.648008  1
  Zr  Zr23  1  0.751781  0.751781  0.683807  1
  Zr  Zr24  1  1.001781  0.001781  0.648008  1
  Ni  Ni25  1  0.125664  0.125664  0.307603  1
  Ni  Ni26  1  0.126653  0.376909  0.343488  1
  Ni  Ni27  1  0.377898  0.377898  0.307603  1
  Ni  Ni28  1  0.376909  0.126653  0.343488  1
  Ni  Ni29  1  0.625664  0.625664  0.307603  1
  Ni  Ni30  1  0.626653  0.876909  0.343488  1
  Ni  Ni31  1  0.877898  0.877898  0.307603  1
  Ni  Ni32  1  0.876909  0.626653  0.343488  1
  Ni  Ni33  1  0.126508  0.626508  0.379864  1
  Ni  Ni34  1  0.126653  0.876908  0.415499  1
  Ni  Ni35  1  0.377054  0.877054  0.379864  1
  Ni  Ni36  1  0.376908  0.626653  0.415499  1
  Ni  Ni37  1  0.626508  0.126508  0.379864  1
  Ni  Ni38  1  0.626653  0.376908  0.415499  1
  Ni  Ni39  1  0.877054  0.377054  0.379864  1
  Ni  Ni40  1  0.876908  0.126653  0.415499  1
  Ni  Ni41  1  0.126814  0.126814  0.451243  1
  Ni  Ni42  1  0.126790  0.376771  0.487007  1
  Ni  Ni43  1  0.376748  0.376748  0.451243  1
  Ni  Ni44  1  0.376771  0.126790  0.487007  1
  Ni  Ni45  1  0.626814  0.626814  0.451243  1
  Ni  Ni46  1  0.626790  0.876771  0.487007  1
  Ni  Ni47  1  0.876748  0.876748  0.451243  1
  Ni  Ni48  1  0.876771  0.626790  0.487007  1
  Ni  Ni49  1  0.126756  0.626756  0.522770  1
  Ni  Ni50  1  0.126793  0.876769  0.558508  1
  Ni  Ni51  1  0.376805  0.876805  0.522770  1
  Ni  Ni52  1  0.376769  0.626793  0.558508  1
  Ni  Ni53  1  0.626756  0.126756  0.522770  1
  Ni  Ni54  1  0.626793  0.376769  0.558508  1
  Ni  Ni55  1  0.876805  0.376805  0.522770  1
  Ni  Ni56  1  0.876769  0.126793  0.558508  1
  Ni  Ni57  1  0.126892  0.126892  0.594214  1
  Ni  Ni58  1  0.127382  0.376179  0.630377  1
  Ni  Ni59  1  0.376669  0.376669  0.594214  1
  Ni  Ni60  1  0.376179  0.127382  0.630377  1
  Ni  Ni61  1  0.626892  0.626892  0.594214  1
  Ni  Ni62  1  0.627382  0.876179  0.630377  1
  Ni  Ni63  1  0.876669  0.876669  0.594214  1
  Ni  Ni64  1  0.876179  0.627382  0.630377  1
  Ni  Ni65  1  0.126882  0.626882  0.665846  1
  Ni  Ni66  1  0.121733  0.881828  0.700187  1
  Ni  Ni67  1  0.376679  0.876679  0.665846  1
  Ni  Ni68  1  0.381828  0.621733  0.700187  1
  Ni  Ni69  1  0.626882  0.126882  0.665846  1
  Ni  Ni70  1  0.621733  0.381828  0.700187  1
  Ni  Ni71  1  0.876679  0.376679  0.665846  1
  Ni  Ni72  1  0.881828  0.121733  0.700187  1
