# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25688722
_cell_length_b   5.25688722
_cell_length_c   47.56426476
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr10 Ni30'
_cell_volume   1138.33146173
_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  0.334475  0.335617  0.294530  1
  Zr  Zr2  1  0.667809  0.668951  0.340140  1
  Zr  Zr3  1  0.334475  0.335617  0.385163  1
  Zr  Zr4  1  0.667809  0.668951  0.430746  1
  Zr  Zr5  1  0.334475  0.335617  0.476220  1
  Zr  Zr6  1  0.667809  0.668951  0.521791  1
  Zr  Zr7  1  0.334475  0.335617  0.567265  1
  Zr  Zr8  1  0.667809  0.668951  0.612848  1
  Zr  Zr9  1  0.334475  0.335617  0.657871  1
  Zr  Zr10  1  0.667809  0.668951  0.703481  1
  Ni  Ni11  1  0.835228  0.334112  0.295107  1
  Ni  Ni12  1  0.166228  0.167370  0.339193  1
  Ni  Ni13  1  0.166228  0.672112  0.339193  1
  Ni  Ni14  1  0.835228  0.836370  0.295107  1
  Ni  Ni15  1  0.332970  0.836370  0.295107  1
  Ni  Ni16  1  0.670970  0.167370  0.339193  1
  Ni  Ni17  1  0.837140  0.330287  0.385216  1
  Ni  Ni18  1  0.165530  0.166672  0.430732  1
  Ni  Ni19  1  0.165530  0.673509  0.430732  1
  Ni  Ni20  1  0.837140  0.838282  0.385216  1
  Ni  Ni21  1  0.329145  0.838282  0.385216  1
  Ni  Ni22  1  0.672367  0.166672  0.430732  1
  Ni  Ni23  1  0.836752  0.331063  0.476258  1
  Ni  Ni24  1  0.165532  0.166674  0.521753  1
  Ni  Ni25  1  0.165532  0.673505  0.521753  1
  Ni  Ni26  1  0.836752  0.837894  0.476258  1
  Ni  Ni27  1  0.329921  0.837894  0.476258  1
  Ni  Ni28  1  0.672363  0.166674  0.521753  1
  Ni  Ni29  1  0.836754  0.331059  0.567279  1
  Ni  Ni30  1  0.165144  0.166286  0.612795  1
  Ni  Ni31  1  0.165144  0.674281  0.612795  1
  Ni  Ni32  1  0.836754  0.837896  0.567279  1
  Ni  Ni33  1  0.329917  0.837896  0.567279  1
  Ni  Ni34  1  0.673139  0.166286  0.612795  1
  Ni  Ni35  1  0.836056  0.332456  0.658818  1
  Ni  Ni36  1  0.167056  0.168198  0.702904  1
  Ni  Ni37  1  0.167056  0.670456  0.702904  1
  Ni  Ni38  1  0.836056  0.837198  0.658818  1
  Ni  Ni39  1  0.331314  0.837198  0.658818  1
  Ni  Ni40  1  0.669314  0.168198  0.702904  1
