# generated using pymatgen
data_ZrNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19034779
_cell_length_b   4.40285141
_cell_length_c   49.72046492
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrNi3
_chemical_formula_sum   'Zr10 Ni30'
_cell_volume   1136.22847646
_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  0.501182  0.252117  0.331904  1
  Zr  Zr2  1  1.001182  0.752117  0.299839  1
  Zr  Zr3  1  1.001182  0.252117  0.422575  1
  Zr  Zr4  1  0.501182  0.752117  0.392479  1
  Zr  Zr5  1  0.501182  0.252117  0.513467  1
  Zr  Zr6  1  1.001182  0.752117  0.483338  1
  Zr  Zr7  1  1.001182  0.252117  0.604326  1
  Zr  Zr8  1  0.501182  0.752117  0.574230  1
  Zr  Zr9  1  0.501182  0.252117  0.696966  1
  Zr  Zr10  1  1.001182  0.752117  0.664901  1
  Ni  Ni11  1  0.750044  0.252117  0.286833  1
  Ni  Ni12  1  0.501182  0.752117  0.301566  1
  Ni  Ni13  1  0.758618  0.752117  0.346768  1
  Ni  Ni14  1  1.001182  0.252117  0.331943  1
  Ni  Ni15  1  0.252320  0.252117  0.286833  1
  Ni  Ni16  1  0.243747  0.752117  0.346768  1
  Ni  Ni17  1  0.247405  0.252117  0.376959  1
  Ni  Ni18  1  0.001182  0.752117  0.391897  1
  Ni  Ni19  1  0.254394  0.752117  0.438073  1
  Ni  Ni20  1  0.501182  0.252117  0.422935  1
  Ni  Ni21  1  0.754959  0.252117  0.376959  1
  Ni  Ni22  1  0.747971  0.752117  0.438073  1
  Ni  Ni23  1  0.747835  0.252117  0.467788  1
  Ni  Ni24  1  0.501182  0.752117  0.482958  1
  Ni  Ni25  1  0.754530  0.752117  0.529017  1
  Ni  Ni26  1  0.001182  0.252117  0.513847  1
  Ni  Ni27  1  0.254530  0.252117  0.467788  1
  Ni  Ni28  1  0.247835  0.752117  0.529017  1
  Ni  Ni29  1  0.247971  0.252117  0.558732  1
  Ni  Ni30  1  0.001182  0.752117  0.573870  1
  Ni  Ni31  1  0.254959  0.752117  0.619846  1
  Ni  Ni32  1  0.501182  0.252117  0.604908  1
  Ni  Ni33  1  0.754394  0.252117  0.558732  1
  Ni  Ni34  1  0.747405  0.752117  0.619846  1
  Ni  Ni35  1  0.743747  0.252117  0.650037  1
  Ni  Ni36  1  0.501182  0.752117  0.664862  1
  Ni  Ni37  1  0.752320  0.752117  0.709972  1
  Ni  Ni38  1  1.001182  0.252117  0.695239  1
  Ni  Ni39  1  0.258618  0.252117  0.650037  1
  Ni  Ni40  1  0.250044  0.752117  0.709972  1
