# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79805882
_cell_length_b   6.79805882
_cell_length_c   47.56679264
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi5
_chemical_formula_sum   'Zr12 Ni60'
_cell_volume   2198.23290817
_cell_formula_units_Z   12
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  0.751436  0.251436  0.399342  1
  Zr  Zr2  1  0.251436  0.751436  0.399342  1
  Zr  Zr3  1  0.751436  0.751436  0.329853  1
  Zr  Zr4  1  0.251436  0.251436  0.329853  1
  Zr  Zr5  1  0.751436  0.251436  0.543381  1
  Zr  Zr6  1  0.251436  0.751436  0.543381  1
  Zr  Zr7  1  0.751436  0.751436  0.471501  1
  Zr  Zr8  1  0.251436  0.251436  0.471501  1
  Zr  Zr9  1  0.751436  0.251436  0.683808  1
  Zr  Zr10  1  0.251436  0.751436  0.683808  1
  Zr  Zr11  1  0.751436  0.751436  0.615348  1
  Zr  Zr12  1  0.251436  0.251436  0.615348  1
  Ni  Ni13  1  0.501436  0.501436  0.362938  1
  Ni  Ni14  1  0.376323  0.126549  0.382050  1
  Ni  Ni15  1  0.625486  0.377386  0.309143  1
  Ni  Ni16  1  0.375832  0.375832  0.417582  1
  Ni  Ni17  1  0.630106  0.130106  0.346412  1
  Ni  Ni18  1  1.001436  0.001436  0.362938  1
  Ni  Ni19  1  0.876323  0.626549  0.382050  1
  Ni  Ni20  1  0.125486  0.877386  0.309143  1
  Ni  Ni21  1  0.875832  0.875832  0.417582  1
  Ni  Ni22  1  0.130106  0.630106  0.346412  1
  Ni  Ni23  1  0.501436  0.001436  0.302395  1
  Ni  Ni24  1  0.377386  0.625486  0.309143  1
  Ni  Ni25  1  0.626549  0.876323  0.382050  1
  Ni  Ni26  1  0.372766  0.872766  0.346412  1
  Ni  Ni27  1  0.627040  0.627040  0.417582  1
  Ni  Ni28  1  1.001436  0.501436  0.302395  1
  Ni  Ni29  1  0.877386  0.125486  0.309143  1
  Ni  Ni30  1  0.126549  0.376323  0.382050  1
  Ni  Ni31  1  0.872766  0.372766  0.346412  1
  Ni  Ni32  1  0.127040  0.127040  0.417582  1
  Ni  Ni33  1  0.501436  0.501436  0.507425  1
  Ni  Ni34  1  0.375714  0.127158  0.525411  1
  Ni  Ni35  1  0.627378  0.375494  0.453613  1
  Ni  Ni36  1  0.375460  0.375460  0.561225  1
  Ni  Ni37  1  0.627185  0.127185  0.489431  1
  Ni  Ni38  1  1.001436  0.001436  0.507425  1
  Ni  Ni39  1  0.875714  0.627158  0.525411  1
  Ni  Ni40  1  0.127378  0.875494  0.453613  1
  Ni  Ni41  1  0.875460  0.875460  0.561225  1
  Ni  Ni42  1  0.127185  0.627185  0.489431  1
  Ni  Ni43  1  0.501436  0.001436  0.435651  1
  Ni  Ni44  1  0.375494  0.627378  0.453613  1
  Ni  Ni45  1  0.627158  0.875714  0.525411  1
  Ni  Ni46  1  0.375687  0.875687  0.489431  1
  Ni  Ni47  1  0.627412  0.627412  0.561225  1
  Ni  Ni48  1  1.001436  0.501436  0.435651  1
  Ni  Ni49  1  0.875494  0.127378  0.453613  1
  Ni  Ni50  1  0.127158  0.375714  0.525411  1
  Ni  Ni51  1  0.875687  0.375687  0.489431  1
  Ni  Ni52  1  0.127412  0.127412  0.561225  1
  Ni  Ni53  1  0.501436  0.501436  0.651963  1
  Ni  Ni54  1  0.373999  0.128873  0.668766  1
  Ni  Ni55  1  0.627074  0.375798  0.597299  1
  Ni  Ni56  1  0.381034  0.381034  0.704434  1
  Ni  Ni57  1  0.626390  0.126390  0.632793  1
  Ni  Ni58  1  1.001436  0.001436  0.651963  1
  Ni  Ni59  1  0.873999  0.628873  0.668766  1
  Ni  Ni60  1  0.127074  0.875798  0.597299  1
  Ni  Ni61  1  0.881034  0.881034  0.704434  1
  Ni  Ni62  1  0.126390  0.626390  0.632793  1
  Ni  Ni63  1  0.501436  0.001436  0.579218  1
  Ni  Ni64  1  0.375798  0.627074  0.597299  1
  Ni  Ni65  1  0.628873  0.873999  0.668766  1
  Ni  Ni66  1  0.376482  0.876482  0.632793  1
  Ni  Ni67  1  0.621838  0.621838  0.704434  1
  Ni  Ni68  1  1.001436  0.501436  0.579218  1
  Ni  Ni69  1  0.875798  0.127074  0.597299  1
  Ni  Ni70  1  0.128873  0.373999  0.668766  1
  Ni  Ni71  1  0.876482  0.376482  0.632793  1
  Ni  Ni72  1  0.121838  0.121838  0.704434  1
