# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18227215
_cell_length_b   5.18227215
_cell_length_c   48.69560307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr10 Ni30'
_cell_volume   1132.55894082
_cell_formula_units_Z   10
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  0.669611  0.335297  0.294101  1
  Zr  Zr2  1  0.336278  0.668630  0.340407  1
  Zr  Zr3  1  0.669611  0.335297  0.385722  1
  Zr  Zr4  1  0.336278  0.668630  0.431196  1
  Zr  Zr5  1  0.669611  0.335297  0.476576  1
  Zr  Zr6  1  0.336278  0.668630  0.522209  1
  Zr  Zr7  1  0.669611  0.335297  0.567589  1
  Zr  Zr8  1  0.336278  0.668630  0.613063  1
  Zr  Zr9  1  0.669611  0.335297  0.658378  1
  Zr  Zr10  1  0.336278  0.668630  0.704684  1
  Ni  Ni11  1  0.168760  0.333594  0.295850  1
  Ni  Ni12  1  0.334216  0.167599  0.339432  1
  Ni  Ni13  1  0.837309  0.670692  0.339432  1
  Ni  Ni14  1  0.671314  0.836148  0.295850  1
  Ni  Ni15  1  0.168760  0.836148  0.295850  1
  Ni  Ni16  1  0.837309  0.167599  0.339432  1
  Ni  Ni17  1  0.167047  0.330168  0.385643  1
  Ni  Ni18  1  0.331821  0.166401  0.431126  1
  Ni  Ni19  1  0.838507  0.673087  0.431126  1
  Ni  Ni20  1  0.674740  0.837861  0.385643  1
  Ni  Ni21  1  0.167047  0.837861  0.385643  1
  Ni  Ni22  1  0.838507  0.166401  0.431126  1
  Ni  Ni23  1  0.167448  0.330971  0.476664  1
  Ni  Ni24  1  0.331952  0.166467  0.522121  1
  Ni  Ni25  1  0.838441  0.672956  0.522121  1
  Ni  Ni26  1  0.673937  0.837460  0.476664  1
  Ni  Ni27  1  0.167448  0.837460  0.476664  1
  Ni  Ni28  1  0.838441  0.166467  0.522121  1
  Ni  Ni29  1  0.167383  0.330840  0.567659  1
  Ni  Ni30  1  0.331149  0.166065  0.613143  1
  Ni  Ni31  1  0.838843  0.673759  0.613143  1
  Ni  Ni32  1  0.674068  0.837525  0.567659  1
  Ni  Ni33  1  0.167383  0.837525  0.567659  1
  Ni  Ni34  1  0.838843  0.166065  0.613143  1
  Ni  Ni35  1  0.168580  0.333234  0.659353  1
  Ni  Ni36  1  0.334576  0.167779  0.702935  1
  Ni  Ni37  1  0.837129  0.670332  0.702935  1
  Ni  Ni38  1  0.671674  0.836328  0.659353  1
  Ni  Ni39  1  0.168580  0.836328  0.659353  1
  Ni  Ni40  1  0.837129  0.167779  0.702935  1
