# generated using pymatgen
data_Nd3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55364392
_cell_length_b   6.98755183
_cell_length_c   9.98231835
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd3Ni
_chemical_formula_sum   'Nd12 Ni4'
_cell_volume   457.12955348
_cell_formula_units_Z   4
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  0.32313575  0.67150883  0.06724665  1.0
  Nd  Nd1  1  0.17686425  0.17150883  0.43275335  1.0
  Nd  Nd2  1  0.67686425  0.32849117  0.56724665  1.0
  Nd  Nd3  1  0.82313575  0.82849117  0.93275335  1.0
  Nd  Nd4  1  0.67686425  0.32849117  0.93275335  1.0
  Nd  Nd5  1  0.82313575  0.82849117  0.56724665  1.0
  Nd  Nd6  1  0.32313575  0.67150883  0.43275335  1.0
  Nd  Nd7  1  0.17686425  0.17150883  0.06724665  1.0
  Nd  Nd8  1  0.85664539  0.53460924  0.25000000  1.0
  Nd  Nd9  1  0.64335461  0.03460924  0.25000000  1.0
  Nd  Nd10  1  0.14335461  0.46539076  0.75000000  1.0
  Nd  Nd11  1  0.35664539  0.96539076  0.75000000  1.0
  Ni  Ni12  1  0.06402868  0.88558395  0.25000000  1.0
  Ni  Ni13  1  0.43597132  0.38558395  0.25000000  1.0
  Ni  Ni14  1  0.93597132  0.11441605  0.75000000  1.0
  Ni  Ni15  1  0.56402868  0.61441605  0.75000000  1.0