# generated using pymatgen
data_NdNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99584886
_cell_length_b   4.99583366
_cell_length_c   8.66134018
_cell_angle_alpha   73.26415218
_cell_angle_beta   73.26416946
_cell_angle_gamma   60.01636636
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdNi3
_chemical_formula_sum   'Nd3 Ni9'
_cell_volume   176.58679639
_cell_formula_units_Z   3
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
  Nd  Nd0  1  0.13869338  0.13869338  0.58435057  1.0
  Nd  Nd1  1  0.86130662  0.86130662  0.41564943  1.0
  Nd  Nd2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.08101601  0.58024609  0.75945540  1.0
  Ni  Ni4  1  0.58017852  0.58017852  0.75945776  1.0
  Ni  Ni5  1  0.58024709  0.08101501  0.75945540  1.0
  Ni  Ni6  1  0.91898399  0.41975391  0.24054460  1.0
  Ni  Ni7  1  0.41982148  0.41982148  0.24054224  1.0
  Ni  Ni8  1  0.41975291  0.91898499  0.24054460  1.0
  Ni  Ni9  1  0.33285421  0.33285521  0.00134729  1.0
  Ni  Ni10  1  0.66714579  0.66714479  0.99865271  1.0
  Ni  Ni11  1  0.50000000  0.50000000  0.50000000  1.0