# generated using pymatgen
data_ZrNi5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81231144
_cell_length_b   6.81231144
_cell_length_c   47.70900296
_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   2214.0597108
_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  0.251581  0.251581  0.399171  1
  Zr  Zr2  1  0.751581  0.751581  0.399171  1
  Zr  Zr3  1  0.251581  0.751581  0.329150  1
  Zr  Zr4  1  0.751581  0.251581  0.329150  1
  Zr  Zr5  1  0.251581  0.251581  0.543048  1
  Zr  Zr6  1  0.751581  0.751581  0.543048  1
  Zr  Zr7  1  0.251581  0.751581  0.471230  1
  Zr  Zr8  1  0.751581  0.251581  0.471230  1
  Zr  Zr9  1  0.251581  0.251581  0.683933  1
  Zr  Zr10  1  0.751581  0.751581  0.683933  1
  Zr  Zr11  1  0.251581  0.751581  0.615102  1
  Zr  Zr12  1  0.751581  0.251581  0.615102  1
  Ni  Ni13  1  0.001581  0.001581  0.301823  1
  Ni  Ni14  1  0.878280  0.624881  0.309091  1
  Ni  Ni15  1  0.124881  0.378280  0.309091  1
  Ni  Ni16  1  0.874061  0.874061  0.346130  1
  Ni  Ni17  1  0.129100  0.129100  0.346130  1
  Ni  Ni18  1  0.501581  0.501581  0.301823  1
  Ni  Ni19  1  0.378280  0.124881  0.309091  1
  Ni  Ni20  1  0.624881  0.878280  0.309091  1
  Ni  Ni21  1  0.374061  0.374061  0.346130  1
  Ni  Ni22  1  0.629100  0.629100  0.346130  1
  Ni  Ni23  1  0.001581  0.501581  0.362158  1
  Ni  Ni24  1  0.876744  0.126417  0.381748  1
  Ni  Ni25  1  0.126417  0.876744  0.381748  1
  Ni  Ni26  1  0.876418  0.376418  0.417470  1
  Ni  Ni27  1  0.126743  0.626743  0.417470  1
  Ni  Ni28  1  0.501581  0.001581  0.362158  1
  Ni  Ni29  1  0.376744  0.626417  0.381748  1
  Ni  Ni30  1  0.626417  0.376744  0.381748  1
  Ni  Ni31  1  0.376418  0.876418  0.417470  1
  Ni  Ni32  1  0.626743  0.126743  0.417470  1
  Ni  Ni33  1  0.001581  0.001581  0.435402  1
  Ni  Ni34  1  0.876218  0.626943  0.453273  1
  Ni  Ni35  1  0.126943  0.376218  0.453273  1
  Ni  Ni36  1  0.876370  0.876370  0.489204  1
  Ni  Ni37  1  0.126791  0.126791  0.489204  1
  Ni  Ni38  1  0.501581  0.501581  0.435402  1
  Ni  Ni39  1  0.376218  0.126943  0.453273  1
  Ni  Ni40  1  0.626943  0.876218  0.453273  1
  Ni  Ni41  1  0.376370  0.376370  0.489204  1
  Ni  Ni42  1  0.626791  0.626791  0.489204  1
  Ni  Ni43  1  0.001581  0.501581  0.507138  1
  Ni  Ni44  1  0.876372  0.126790  0.525072  1
  Ni  Ni45  1  0.126790  0.876372  0.525072  1
  Ni  Ni46  1  0.876170  0.376170  0.561010  1
  Ni  Ni47  1  0.126991  0.626991  0.561010  1
  Ni  Ni48  1  0.501581  0.001581  0.507138  1
  Ni  Ni49  1  0.376372  0.626790  0.525072  1
  Ni  Ni50  1  0.626790  0.376372  0.525072  1
  Ni  Ni51  1  0.376170  0.876170  0.561010  1
  Ni  Ni52  1  0.626991  0.126991  0.561010  1
  Ni  Ni53  1  0.001581  0.001581  0.578865  1
  Ni  Ni54  1  0.876389  0.626772  0.596807  1
  Ni  Ni55  1  0.126772  0.376389  0.596807  1
  Ni  Ni56  1  0.876755  0.876755  0.632535  1
  Ni  Ni57  1  0.126406  0.126406  0.632535  1
  Ni  Ni58  1  0.501581  0.501581  0.578865  1
  Ni  Ni59  1  0.376389  0.126772  0.596807  1
  Ni  Ni60  1  0.626772  0.876389  0.596807  1
  Ni  Ni61  1  0.376755  0.376755  0.632535  1
  Ni  Ni62  1  0.626406  0.626406  0.632535  1
  Ni  Ni63  1  0.001581  0.501581  0.651971  1
  Ni  Ni64  1  0.875210  0.127951  0.668413  1
  Ni  Ni65  1  0.127951  0.875210  0.668413  1
  Ni  Ni66  1  0.881922  0.381922  0.703882  1
  Ni  Ni67  1  0.121239  0.621239  0.703882  1
  Ni  Ni68  1  0.501581  0.001581  0.651971  1
  Ni  Ni69  1  0.375210  0.627951  0.668413  1
  Ni  Ni70  1  0.627951  0.375210  0.668413  1
  Ni  Ni71  1  0.381922  0.881922  0.703882  1
  Ni  Ni72  1  0.621239  0.121239  0.703882  1
